LMucko/crystallography-open-database · Datasets at Hugging Face

2,012,060

12.3589

0.0003

7.4464

0.0002

8.2199

0.0002

90

null

99.8369

0.0014

90

null

745.35

0.03

100

2

100

2

null

6

C 1 2/c 1

-C 2yc

15

poly[copper(II)-di-μ-hypophosphito-μ-urea]

- C H8 Cu N2 O5 P2 -

- C4 H32 Cu4 N8 O20 P8 -

4

0.5

AV1072

Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.

A urea complex of copper(II) hypophosphite at 293, 100 and 15K

Acta Crystallographica Section C

2,001

57

7

790

792

10.1107/S0108270101004711

0.71073

MoKα

0.023

0.022

null

0.057

null

1.12

null

has coordinates

Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K. A urea complex of copper(II) hypophosphite at 293, 100 and 15K Acta Crystallographica Section C 57(7) (2001) 790-792

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012060.cif $ #-------------------------------------------------------------------...

2,012,061

12.297

0.003

7.435

0.001

8.197

0.002

90

null

99.72

0.01

90

null

738.7

0.3

15

1

15

2

null

6

C 1 2/c 1

-C 2yc

15

poly[copper(II)-di-μ-hypophosphito-μ-urea]

- C H8 Cu N2 O5 P2 -

- C4 H32 Cu4 N8 O20 P8 -

4

0.5

AV1072

Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K.

A urea complex of copper(II) hypophosphite at 293, 100 and 15K

Acta Crystallographica Section C

2,001

57

7

790

792

10.1107/S0108270101004711

0.71073

MoKα

0.024

null

0.063

null

1.23

null

has coordinates

Naumov, Dmitry Yu.; Yufit, Dmitrii S.; Boldyreva, Elena V.; Howard, Judith A. K. A urea complex of copper(II) hypophosphite at 293, 100 and 15K Acta Crystallographica Section C 57(7) (2001) 790-792

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012061.cif $ #-------------------------------------------------------------------...

2,012,062

10.378

0.002

9.725

0.002

12.699

0.003

90

null

99.195

0.007

90

null

1,265.2

0.5

110

0.2

110

0.2

null

3

P 1 21/c 1

-P 2ybc

14

3-phenyl-1,2-dicarba-closo-dodecaborane(12)

- C8 H16 B10 -

- C32 H64 B40 -

4

1

AV1073

Grintselev-Knyazev, Gennadii V.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Knyazev, Sergey P.; Kirin, Valerii N.; Chernyshev, Eugenii A.

Two isostructural carboranes: 3-phenyl-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-1,7-dicarba-closo-dodecaborane(12)

Acta Crystallographica Section C

2,001

57

7

827

829

10.1107/S0108270101005455

0.71073

MoKα

0.071

0.047

null

0.142

null

0.955

null

has coordinates,has Fobs

Grintselev-Knyazev, Gennadii V.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Knyazev, Sergey P.; Kirin, Valerii N.; Chernyshev, Eugenii A. Two isostructural carboranes: 3-phenyl-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-1,7-dicarba-closo-dodecaborane(12) Acta Crystallographica Section C 57(7) (20...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012062.cif $ #-------------------------------------------------------------------...

2,012,063

10.35

0.002

9.449

0.002

13.763

0.003

90

null

106.07

0.03

90

null

1,293.4

0.5

163

2

163

2

null

3

P 1 21/c 1

-P 2ybc

14

1-phenyl-1,7-dicarba-closo-dodecaborane(12)

- C8 H16 B10 -

- C32 H64 B40 -

4

1

AV1073

Grintselev-Knyazev, Gennadii V.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Knyazev, Sergey P.; Kirin, Valerii N.; Chernyshev, Eugenii A.

Two isostructural carboranes: 3-phenyl-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-1,7-dicarba-closo-dodecaborane(12)

Acta Crystallographica Section C

2,001

57

7

827

829

10.1107/S0108270101005455

0.71073

MoKα

0.126

0.049

null

0.115

null

0.879

null

has coordinates,has Fobs

Grintselev-Knyazev, Gennadii V.; Lyssenko, Konstantin A.; Antipin, Mikhail Yu.; Knyazev, Sergey P.; Kirin, Valerii N.; Chernyshev, Eugenii A. Two isostructural carboranes: 3-phenyl-1,2-dicarba-closo-dodecaborane(12) and 1-phenyl-1,7-dicarba-closo-dodecaborane(12) Acta Crystallographica Section C 57(7) (20...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012063.cif $ #-------------------------------------------------------------------...

2,012,064

14.232

0.012

14.232

0.012

14.232

0.012

90

null

90

null

90

null

2,883

4

180

2

180

2

null

4

P a -3

-P 2ac 2ab 3

205

tris-tert.-butyl-phosphine sulfide

- C12 H27 P S -

- C96 H216 P8 S8 -

8

0.333333

BJ1020

Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred

Tris(tert-butyl)phosphine sulfide, a phosphine sulfide with three bulky substituents

Acta Crystallographica Section C

2,001

57

7

835

837

10.1107/S0108270101005959

0.71073

MoKα

0.072

0.063

null

0.136

null

1.329

null

has coordinates,has disorder,has Fobs

Steinberger, Hans-Uwe; Ziemer, Burkhard; Meisel, Manfred Tris(tert-butyl)phosphine sulfide, a phosphine sulfide with three bulky substituents Acta Crystallographica Section C 57(7) (2001) 835-837

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012064.cif $ #-------------------------------------------------------------------...

2,012,065

3.828

0.0005

12.7738

0.0016

21.203

0.003

90

null

91.118

0.014

90

null

1,036.6

0.2

296

null

296

null

5

P 1 21/n 1

-P 2yn

14

- C18 H12 Cl2 N4 O8 -

- C36 H24 Cl4 N8 O16 -

2

0.5

BK1601

Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo

2:1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine

Acta Crystallographica Section C

2,001

57

7

876

879

10.1107/S0108270101007016

0.71073

MoKα

0.077

0.057

null

0.074

null

0.063

null

1.38

null

1.38

null

has coordinates,has Fobs

Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo 2:1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine Acta Crystallographica Section C 57(7) (2001) 876-879

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012065.cif $ #-------------------------------------------------------------------...

2,012,066

10.293

0.004

7.276

0.002

13.818

0.006

90

null

105.17

0.03

90

null

998.8

0.7

293

null

293

null

5

P 1 21/c 1

-P 2ybc

14

- C18 H12 Cl2 N4 O8 -

- C36 H24 Cl4 N8 O16 -

2

0.5

BK1601

Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo

2:1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine

Acta Crystallographica Section C

2,001

57

7

876

879

10.1107/S0108270101007016

0.71073

MoKα

0.072

0.051

null

0.07

null

0.061

null

1.33

null

1.33

null

has coordinates,has Fobs

Ishida, Hiroyuki; Rahman, Bilkish; Kashino, Setsuo 2:1 Complexes of 2-chloro-4-nitrobenzoic acid and 2-chloro-5-nitrobenzoic acid with pyrazine Acta Crystallographica Section C 57(7) (2001) 876-879

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012066.cif $ #-------------------------------------------------------------------...

2,012,067

11.7643

0.0005

8.2154

0.0004

16.5207

0.0006

90

null

104.1

0.02

90

null

1,548.59

0.18

120

2

120

2

null

6

P 1 21/c 1

-P 2ybc

14

(E)-5-[Hydroxyimino(phenyl)methyl]-1-methyl-3,4-dihydro-2H-pyrrolium trifluoromethanesulfonate

- C13 H15 F3 N2 O4 S -

- C52 H60 F12 N8 O16 S4 -

4

1

BM1441

Coustard, Jean-Marie; Le Toquin, Ronan; Leo, Roland; Paulus, Werner; Cousson, Alain

(E)-5-[Hydroxyimino(phenyl)methyl]-1-methyl-3,4-dihydro-2H-pyrrolium trifluoromethanesulfonate

Acta Crystallographica Section C

2,001

57

7

815

816

10.1107/S0108270100020448

0.71073

MoKα

null

0.044

null

0.0544

null

1.0257

null

has coordinates,has Fobs

Coustard, Jean-Marie; Le Toquin, Ronan; Leo, Roland; Paulus, Werner; Cousson, Alain (E)-5-[Hydroxyimino(phenyl)methyl]-1-methyl-3,4-dihydro-2H-pyrrolium trifluoromethanesulfonate Acta Crystallographica Section C 57(7) (2001) 815-816

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012067.cif $ #-------------------------------------------------------------------...

2,012,068

8.6689

0.0008

17.6441

0.0016

9.6101

0.0008

90

null

93.283

0.003

90

null

1,467.5

0.2

133

2

133

2

null

4

P 1 21 1

P 2yb

4

4-pyridone 6/5 hydrate

- C5 H7.4 N O2.2 -

- C50 H74 N10 O22 -

10

5

BM1453

Jones, Peter G.

A simple compound with an unexpectedly complex structure: 4-pyridone 6/5-hydrate

Acta Crystallographica Section C

2,001

57

7

880

882

10.1107/S0108270101008228

0.71073

MoKα

0.0514

0.0344

null

0.0899

null

0.959

null

has coordinates,has Fobs

Jones, Peter G. A simple compound with an unexpectedly complex structure: 4-pyridone 6/5-hydrate Acta Crystallographica Section C 57(7) (2001) 880-882

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012068.cif $ #-------------------------------------------------------------------...

2,012,069

10.6601

0.0005

10.5515

0.0005

14.5604

0.0006

90

null

90

null

90

null

1,637.75

0.13

150

2

150

2

null

2

P b c a

-P 2ac 2ab

61

1,1'-bis(nido-decaboranyl)

- B20 H26 -

- B80 H104 -

4

0.5

BR1315

Bould, Jonathan; William Clegg; Kennedy, John D.; Simon J. Teat

Isomeric icosaboranes B~20~H~26~: the synchrotron structure of 1,1'-bis(nido-decaboranyl)

Acta Crystallographica Section C

2,001

57

7

779

780

10.1107/S0108270101003407

0.689

synchrotron

0.0781

0.0558

null

0.1503

null

1.086

null

has coordinates,has Fobs

Bould, Jonathan; William Clegg; Kennedy, John D.; Simon J. Teat Isomeric icosaboranes B~20~H~26~: the synchrotron structure of 1,1'-bis(nido-decaboranyl) Acta Crystallographica Section C 57(7) (2001) 779-780

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012069.cif $ #-------------------------------------------------------------------...

2,012,070

30.3799

0.0009

11.2402

0.0003

11.5366

0.0003

90

null

105.961

0.001

90

null

3,787.6

0.18

173.2

null

6

C 1 2/c 1

-C 2yc

15

- C30 H33 N6 Ni2 O16.5 V4 -

- C30 H24 N6 Ni2 O16.5 V4 -

- C120 H96 N24 Ni8 O66 V16 -

4

0.5

BR1320

Yang, Lan; Hu, Changwen; Naruke, Haruo; Yamase, Toshihiro

A three-dimensional inorganic/organic hybrid material, [Ni~2~(4,4'-bipy)~3~(H~2~O)~2~V~4~O~12~]·2.5H~2~O

Acta Crystallographica Section C

2,001

57

7

799

801

10.1107/S0108270101006229

0.7107

MoKα

null

0.0422

null

0.1141

null

1.399

null

has coordinates,has Fobs

Yang, Lan; Hu, Changwen; Naruke, Haruo; Yamase, Toshihiro A three-dimensional inorganic/organic hybrid material, [Ni~2~(4,4'-bipy)~3~(H~2~O)~2~V~4~O~12~]·2.5H~2~O Acta Crystallographica Section C 57(7) (2001) 799-801

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012070.cif $ #-------------------------------------------------------------------...

2,012,071

7.8249

0.0008

7.493

0.0007

16.9248

0.0017

90

null

90

null

105.041

0.011

958.34

0.17

298

null

298

null

3

P 1 1 21

P 2c

4

strontium magnesium tetrafluoride

- F4 Mg Sr -

- F48 Mg12 Sr12 -

12

6

BR1328

Ishizawa, Nobuo; Suda, Katsumi; Etschmann, Barbara E.; Oya, Takashi; Kodama, Nobuhiro

Monoclinic superstructure of SrMgF~4~ with perovskite-type slabs

Acta Crystallographica Section C

2,001

57

7

784

786

10.1107/S0108270101006667

0.71073

MoKα

0.048

0.044

null

0.039

null

0.037

null

3.203

null

3.144

null

has coordinates

Ishizawa, Nobuo; Suda, Katsumi; Etschmann, Barbara E.; Oya, Takashi; Kodama, Nobuhiro Monoclinic superstructure of SrMgF~4~ with perovskite-type slabs Acta Crystallographica Section C 57(7) (2001) 784-786

176,432

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176432 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012071.cif $ #-------------------------------------------------------------------...

2,012,072

9.9329

0.0012

15.8778

0.0011

11.8793

0.001

90

null

112.2

0.003

90

null

1,734.6

0.3

301

2

null

5

P 1 21/n 1

-P 2yn

14

- C19 H20 N2 Ni O2 -

- C76 H80 N8 Ni4 O8 -

4

1

BR1331

Arici, Cengiz; Ercan, Filiz; Kurtaran, Raif; Atakol, Orhan

[N,N'-Bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]nickel(II) and [N,N'-bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]copper(II)

Acta Crystallographica Section C

2,001

57

7

812

814

10.1107/S0108270101008150

1.5418

CuKα

null

0.036

null

0.106

null

1.01

null

has coordinates,has Fobs

Arici, Cengiz; Ercan, Filiz; Kurtaran, Raif; Atakol, Orhan [N,N'-Bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]nickel(II) and [N,N'-bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]copper(II) Acta Crystallographica Section C 57(7) (2001) 812-814

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012072.cif $ #-------------------------------------------------------------------...

2,012,073

9.7452

0.0012

17.2276

0.0014

11.3606

0.001

90

null

112.981

0.003

90

null

1,755.9

0.3

301

2

null

5

P 1 21/n 1

-P 2yn

14

- C19 H20 Cu N2 O2 -

- C76 H80 Cu4 N8 O8 -

4

1

BR1331

Arici, Cengiz; Ercan, Filiz; Kurtaran, Raif; Atakol, Orhan

[N,N'-Bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]nickel(II) and [N,N'-bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]copper(II)

Acta Crystallographica Section C

2,001

57

7

812

814

10.1107/S0108270101008150

1.5418

CuKα

null

0.038

null

0.106

null

1.04

null

has coordinates,has Fobs

Arici, Cengiz; Ercan, Filiz; Kurtaran, Raif; Atakol, Orhan [N,N'-Bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]nickel(II) and [N,N'-bis(salicylidene)-2,2-dimethyl-1,3-propanediaminato]copper(II) Acta Crystallographica Section C 57(7) (2001) 812-814

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012073.cif $ #-------------------------------------------------------------------...

2,012,074

13.318

0.001

15.217

0.002

17.965

0.001

90

null

90

null

90

null

3,640.8

0.6

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

azaadamantanone

2,9-Bis(3-nitrophenyl)-1-azatricyclo[3.3.1.1^3,7^]decan-4-one

- C21 H19 N3 O5 -

- C168 H152 N24 O40 -

8

1

DA1181

Jiménez-Cruz, Federico; Cetina-Rosado, Raúl; Hernández-Ortega, Simón; Alfredo Toscano, Rubén; Ríos-Olivares, Héctor

2,9-Bis(3-nitrophenyl)-1-azaadamantan-4-one

Acta Crystallographica Section C

2,001

57

7

868

869

10.1107/S0108270101007612

0.71073

MoKα

0.098

0.058

null

0.133

null

1.001

null

has coordinates,has Fobs

Jiménez-Cruz, Federico; Cetina-Rosado, Raúl; Hernández-Ortega, Simón; Alfredo Toscano, Rubén; Ríos-Olivares, Héctor 2,9-Bis(3-nitrophenyl)-1-azaadamantan-4-one Acta Crystallographica Section C 57(7) (2001) 868-869

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012074.cif $ #-------------------------------------------------------------------...

2,012,075

16.997

0.002

8.441

0.001

17.763

0.001

90

null

92.57

0.01

90

null

2,545.9

0.4

293

2

293

2

null

3

C 1 2 1

C 2y

5

Amarisolide Monohydrate

2β-O-β-D-glucopyranosyl neo-cleroda-2,13(16),14-trien-15,16-epoxy- 18,19-olide

- C26 H38 O10 -

- C104 H152 O40 -

4

1

DA1187

Toscano, Rubén A.; Maldonado, Emma; Ortega, Alfredo; Cárdenas, Jorge

Amarisolide monohydrate, a 2-(β-glucosyl)neoclerodane

Acta Crystallographica Section C

2,001

57

7

846

847

10.1107/S0108270101006217

0.71073

MoKα

0.109

0.0616

null

0.1434

null

1.028

null

has coordinates,has Fobs

Toscano, Rubén A.; Maldonado, Emma; Ortega, Alfredo; Cárdenas, Jorge Amarisolide monohydrate, a 2-(β-glucosyl)neoclerodane Acta Crystallographica Section C 57(7) (2001) 846-847

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012075.cif $ #-------------------------------------------------------------------...

2,012,076

4.86

0.006

7.603

0.01

13.242

0.002

85.47

0.01

84.06

0.02

75.19

0.01

469.8

0.9

293

2

293

2

null

4

P 1

1

lactosyl acetamide

β-1-N-Acetamido-(4-O-β-D-galactopyranosyl)-D-glucopyranose dihydrate

- C14 H29 N O13 -

1

DE1160

Lakshmanan, Thiruneelakantan; Sriram, Desikan; Loganathan, Duraikannu

β-1-Acetamido-4-O-β-D-galactopyranosyl-D-glucopyranose dihydrate

Acta Crystallographica Section C

2,001

57

7

825

826

10.1107/S0108270101004796

0.71073

MoKα

0.0282

0.0269

null

0.0719

null

1.043

null

has coordinates

Lakshmanan, Thiruneelakantan; Sriram, Desikan; Loganathan, Duraikannu β-1-Acetamido-4-O-β-D-galactopyranosyl-D-glucopyranose dihydrate Acta Crystallographica Section C 57(7) (2001) 825-826

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012076.cif $ #-------------------------------------------------------------------...

2,012,077

10.046

0.0008

12.4964

0.001

12.7901

0.001

92.488

0.002

110.247

0.002

99.408

0.002

1,477.5

0.2

298

2

298

2

null

5

P -1

-P 1

2

meso-5,7,7,12,14,14-hexamethyl-1,4,8,11-tetraazacyclotetradecane nickel(II) 1,2-phenylenebis(oxamato)cuprate(II) dihydrate

- C26 H44 N6 Ni2 O8 -

- C26 H41 N6 Ni2 O8 -

- C52 H82 N12 Ni4 O16 -

2

1

DE1170

Gao, En-Qing; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping

A novel hydrogen-bonded microporous framework constructed from two different metal complexes

Acta Crystallographica Section C

2,001

57

7

807

809

10.1107/S0108270101006849

0.71073

MoKα

0.0398

0.0322

null

0.0913

null

1.043

null

has coordinates

Gao, En-Qing; Liao, Dai-Zheng; Jiang, Zong-Hui; Yan, Shi-Ping A novel hydrogen-bonded microporous framework constructed from two different metal complexes Acta Crystallographica Section C 57(7) (2001) 807-809

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012077.cif $ #-------------------------------------------------------------------...

2,012,078

6.75

0.001

10.839

0.001

14.858

0.001

80.537

0.002

88.717

0.001

73.409

0.002

1,027.28

0.19

110

2

110

2

null

7

P -1

-P 1

2

compound 1

η^6^-benzo-{2,4-Dimethyl-3-phenyl-[2'-methyl-3'-chloro]-7-chloro- 8-methyl-2,4-dibora-1,3-diazaronaphthalene}chromium Tricarbonyl

- C19 H18 B2 Cl2 Cr N2 O3 -

- C38 H36 B4 Cl4 Cr2 N4 O6 -

2

1

FG1625

Abouhamza, Bahija; Ait Ali, Mustapha; Allaoud, Smaïl; Blacque, Olivier; Frange, Bernard; Karim, Abdallah

Two atropisomers of tricarbonyl[η^6^-7-chloro-3-(3-chloro-2-methylphenyl)-2,4,8-trimethyl-1,2,3,4-tetrahydro-2,4-dibora-1,3-diazanaphthalene]chromium(0)

Acta Crystallographica Section C

2,001

57

7

796

798

10.1107/S0108270101006187

0.71073

MoKα

0.0416

0.0311

null

0.0763

null

0.816

null

has coordinates

Abouhamza, Bahija; Ait Ali, Mustapha; Allaoud, Smaïl; Blacque, Olivier; Frange, Bernard; Karim, Abdallah Two atropisomers of tricarbonyl[η^6^-7-chloro-3-(3-chloro-2-methylphenyl)-2,4,8-trimethyl-1,2,3,4-tetrahydro-2,4-dibora-1,3-diazanaphthalene]chromium(0) Acta Crystallographica Section C 57(7) (2001) 796-798

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012078.cif $ #-------------------------------------------------------------------...

2,012,079

25.666

0.001

7.029

0.0003

25.366

0.001

90

null

112.907

0.002

90

null

4,215.3

0.3

110

2

110

2

null

7

C 1 2/c 1

-C 2yc

15

compound 2

η^6^-benzo-{2,4-Dimethyl-3-phenyl-[2'-methyl-3'-chloro]-7-chloro- 8-methyl-2,4-dibora-1,3-diazaronaphthalene}chromium Tricarbonyl

- C19 H18 B2 Cl2 Cr N2 O3 -

- C152 H144 B16 Cl16 Cr8 N16 O24 -

8

1

FG1625

Abouhamza, Bahija; Ait Ali, Mustapha; Allaoud, Smaïl; Blacque, Olivier; Frange, Bernard; Karim, Abdallah

Two atropisomers of tricarbonyl[η^6^-7-chloro-3-(3-chloro-2-methylphenyl)-2,4,8-trimethyl-1,2,3,4-tetrahydro-2,4-dibora-1,3-diazanaphthalene]chromium(0)

Acta Crystallographica Section C

2,001

57

7

796

798

10.1107/S0108270101006187

0.71073

MoKα

0.0438

0.0341

null

0.087

null

1.047

null

has coordinates,has Fobs

Abouhamza, Bahija; Ait Ali, Mustapha; Allaoud, Smaïl; Blacque, Olivier; Frange, Bernard; Karim, Abdallah Two atropisomers of tricarbonyl[η^6^-7-chloro-3-(3-chloro-2-methylphenyl)-2,4,8-trimethyl-1,2,3,4-tetrahydro-2,4-dibora-1,3-diazanaphthalene]chromium(0) Acta Crystallographica Section C 57(7) (2001) 796-798

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012079.cif $ #-------------------------------------------------------------------...

2,012,080

8.5979

0.0009

10.109

0.001

18.9828

0.0018

90

null

90

null

90

null

1,649.9

0.3

173

2

173

2

null

3

P 21 21 21

P 2ac 2ab

19

- C20 H22 O4 -

- C80 H88 O16 -

4

1

FG1630

Clark, Robert W.; Guzei, Ilia A.; Ivanov, Sergei A.; Burke, Steven D.; Lambert, William T.

The lack of C2 molecular symmetry in (1R,2R,3S,6S)-3,6-dibenzyloxycyclohex-4-ene-1,2-diol

Acta Crystallographica Section C

2,001

57

7

844

845

10.1107/S0108270101006199

0.71073

MoKα

0.0393

0.0329

null

0.079

null

1.002

null

has coordinates,has Fobs

Clark, Robert W.; Guzei, Ilia A.; Ivanov, Sergei A.; Burke, Steven D.; Lambert, William T. The lack of C2 molecular symmetry in (1R,2R,3S,6S)-3,6-dibenzyloxycyclohex-4-ene-1,2-diol Acta Crystallographica Section C 57(7) (2001) 844-845

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012080.cif $ #-------------------------------------------------------------------...

2,012,081

6.3867

0.0005

20.9583

0.0017

7.1413

0.0006

90

null

100.272

0.005

90

null

940.57

0.13

100

2

100

2

null

3

P 1 21/n 1

-P 2yn

14

perfluoronaphthalene-tolan

Octafluoronaphthalene-diphenylacetylene (1:1)

- C24 H10 F8 -

- C48 H20 F16 -

2

0.5

FG1634

Collings, Jonathan C.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B.

Octafluoronaphthalene–diphenylacetylene (1/1)

Acta Crystallographica Section C

2,001

57

7

870

872

10.1107/S0108270101007557

0.71073

MoKα

0.047

0.038

null

0.089

null

1.073

null

has coordinates,has Fobs

Collings, Jonathan C.; Batsanov, Andrei S.; Howard, Judith A. K.; Marder, Todd B. Octafluoronaphthalene–diphenylacetylene (1/1) Acta Crystallographica Section C 57(7) (2001) 870-872

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012081.cif $ #-------------------------------------------------------------------...

2,012,082

8.841

0.003

6.283

0.003

14.646

0.004

90

null

103.45

0.02

90

null

791.2

0.5

293

2

293

2

null

3

P 1 21 1

P 2yb

4

gibberic acid monohydrate

1,7-dimethyl-8-oxo-4bα,7α-gibba-1,3,4a(10a)-triene-10β-carboxylic acid monohydrate

- C18 H22 O4 -

- C36 H44 O8 -

2

1

FR1327

Thompson, Hugh W.; Lalancette, Roger A.

(–)-Gibberic acid: hydrogen-bonding pattern of the monohydrate of a non-racemic tetracyclic δ-keto acid derivative of gibberellin A~3~

Acta Crystallographica Section C

2,001

57

7

841

843

10.1107/S0108270101006059

0.71073

MoKα

0.068

0.041

null

0.084

null

1

null

has coordinates,has Fobs

Thompson, Hugh W.; Lalancette, Roger A. (–)-Gibberic acid: hydrogen-bonding pattern of the monohydrate of a non-racemic tetracyclic δ-keto acid derivative of gibberellin A~3~ Acta Crystallographica Section C 57(7) (2001) 841-843

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012082.cif $ #-------------------------------------------------------------------...

2,012,083

8.2527

0.0013

7.3864

0.0012

8.5085

0.0014

90

null

108.947

0.002

90

null

490.56

0.14

173

2

173

2

null

6

P 1 2/n 1

-P 2yac

13

Potassium bis(carbonato-O,O')(ethylenediamine-N,N')cobaltate(III) monohydrate

- C4 H10 Co K N2 O7 -

- C8 H20 Co2 K2 N4 O14 -

2

0.5

FR1331

Belai, Nebebech; Dickman, Michael H.; Pope, Michael T.

Potassium bis(carbonato-O,O')(ethylenediamine-N,N')cobaltate(III) monohydrate at 173K

Acta Crystallographica Section C

2,001

57

7

802

803

10.1107/S0108270101006692

0.71073

MoKα

0.0221

0.0208

null

0.0573

null

1.073

null

has coordinates

Belai, Nebebech; Dickman, Michael H.; Pope, Michael T. Potassium bis(carbonato-O,O')(ethylenediamine-N,N')cobaltate(III) monohydrate at 173K Acta Crystallographica Section C 57(7) (2001) 802-803

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012083.cif $ #-------------------------------------------------------------------...

2,012,084

9.45

0.002

13.689

0.003

6.439

0.001

90

null

103.35

0.03

90

null

810.4

0.3

150

2

150

2

null

3

P 1 21/c 1

-P 2ybc

14

2-Amino-4-(pyrid-4-yl)pyrimidine

- C9 H8 N4 -

- C36 H32 N16 -

4

1

GG1041

Daniel E. Lynch; Ian McClenaghan

2-Amino-4-(4-pyridyl)pyrimidine and the 1:1 adduct with 4-aminobenzoic acid

Acta Crystallographica Section C

2,001

57

7

830

832

10.1107/S0108270101005819

0.71073

MoKα

0.065

0.047

null

0.132

null

1.03

null

has coordinates,has Fobs

Daniel E. Lynch; Ian McClenaghan 2-Amino-4-(4-pyridyl)pyrimidine and the 1:1 adduct with 4-aminobenzoic acid Acta Crystallographica Section C 57(7) (2001) 830-832

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012084.cif $ #-------------------------------------------------------------------...

2,012,085

7.881

0.002

26.354

0.005

7.297

0.002

90

null

102.04

0.03

90

null

1,482.2

0.6

150

2

150

2

null

4

P 1 21/c 1

-P 2ybc

14

2-Amino-4-(pyrid-4-yl)pyrimidine 4-aminobenzoic acid

- C16 H15 N5 O2 -

- C64 H60 N20 O8 -

4

1

GG1041

Daniel E. Lynch; Ian McClenaghan

2-Amino-4-(4-pyridyl)pyrimidine and the 1:1 adduct with 4-aminobenzoic acid

Acta Crystallographica Section C

2,001

57

7

830

832

10.1107/S0108270101005819

0.71073

MoKα

0.077

0.048

null

0.123

null

1.03

null

has coordinates,has Fobs

Daniel E. Lynch; Ian McClenaghan 2-Amino-4-(4-pyridyl)pyrimidine and the 1:1 adduct with 4-aminobenzoic acid Acta Crystallographica Section C 57(7) (2001) 830-832

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012085.cif $ #-------------------------------------------------------------------...

2,012,086

17.5109

0.0009

9.5222

0.0005

10.3232

0.0005

90

null

90

null

90

null

1,721.31

0.15

295

2

295

2

null

4

P n a 21

P 2c -2n

33

(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')diphenylplumbane

- C15 H10 Pb S5 -

- C60 H40 Pb4 S20 -

4

1

GG1047

Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.

Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')stannane at 150K

Acta Crystallographica Section C

2,001

57

7

787

789

10.1107/S0108270101004474

0.71073

MoKα

0.106

0.055

null

0.14

null

1.01

null

has coordinates,has Fobs

Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V. Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')stannane at 150K Acta Crystallographica Section C 57(7) (2001) 787-789

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012086.cif $ #-------------------------------------------------------------------...

2,012,087

17.3574

0.0005

9.227

0.0002

10.3775

0.0002

90

null

90

null

90

null

1,662.03

0.07

150

2

150

2

null

4

P n a 21

P 2c -2n

33

(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')diphenylstannane

- C15 H10 S5 Sn -

- C60 H40 S20 Sn4 -

4

1

GG1047

Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V.

Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')stannane at 150K

Acta Crystallographica Section C

2,001

57

7

787

789

10.1107/S0108270101004474

0.71073

MoKα

0.032

0.028

null

0.061

null

1.08

null

has coordinates,has Fobs

Skakle, Janet M. S.; Wardell, James L.; Wardell, Solange M. S. V. Diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')plumbane at 295K and diphenyl(2-thioxo-1,3-dithiole-4,5-dithiolato-S,S')stannane at 150K Acta Crystallographica Section C 57(7) (2001) 787-789

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012087.cif $ #-------------------------------------------------------------------...

2,012,088

10.654

0.002

10.0701

0.0008

10.262

0.0009

91.446

0.0008

109.639

0.002

112.649

0.002

941.7

0.2

293

2

293

2

null

5

P -1

-P 1

2

trans-chloromethylbis(tricyclohexylphosphine)platinum(II)

- C37 H69 Cl P2 Pt -

1

0.5

GG1050

Otto, Stefanus

trans-Chloro(methyl)bis(tricyclohexylphosphine)platinum(II)

Acta Crystallographica Section C

2,001

57

7

793

795

10.1107/S0108270101006035

0.71073

MoKα

0.041

0.034

null

0.076

null

1.001

null

has coordinates,has Fobs

Otto, Stefanus trans-Chloro(methyl)bis(tricyclohexylphosphine)platinum(II) Acta Crystallographica Section C 57(7) (2001) 793-795

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012088.cif $ #-------------------------------------------------------------------...

2,012,089

8.169

0.002

11.042

0.003

13.745

0.004

90

null

101.89

0.01

90

null

1,213.2

0.6

150

2

150

2

null

4

P 1 21/n 1

-P 2yn

14

2-(N,N-Dimethylamino)-biphenyl-2'-carboxaldehyde

- C15 H15 N O -

- C60 H60 N4 O4 -

4

1

GG1051

O'Leary, Jane; Wallis, John D.; Wood, Michael L.

1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives

Acta Crystallographica Section C

2,001

57

7

851

853

10.1107/S0108270101006369

0.71073

MoKα

0.067

0.051

null

0.126

null

1.08

null

has coordinates

O'Leary, Jane; Wallis, John D.; Wood, Michael L. 1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives Acta Crystallographica Section C 57(7) (2001) 851-853

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012089.cif $ #-------------------------------------------------------------------...

2,012,090

14.161

0.003

27.913

0.006

6.7018

0.0013

90

null

90

null

90

null

2,649.1

1

150

2

150

2

null

4

P c a 21

P 2c -2ac

29

2-(N,N-Dimethylamino)-biphenyl-2',6'-dicarboxaldehyde

- C16 H15 N O2 -

- C128 H120 N8 O16 -

8

2

GG1051

O'Leary, Jane; Wallis, John D.; Wood, Michael L.

1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives

Acta Crystallographica Section C

2,001

57

7

851

853

10.1107/S0108270101006369

0.71073

MoKα

0.074

0.044

null

0.1

null

0.97

null

has coordinates

O'Leary, Jane; Wallis, John D.; Wood, Michael L. 1,6-Interactions between dimethylamino and aldehyde groups in two biphenyl derivatives Acta Crystallographica Section C 57(7) (2001) 851-853

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012090.cif $ #-------------------------------------------------------------------...

2,012,091

7.265

0.001

8.361

0.001

8.885

0.001

74.95

0.01

86.04

0.01

77.87

0.01

509.49

0.11

130

2

null

7

P 1

1

- C5 H11 Cl2 N O2 Pt S -

- C10 H22 Cl4 N2 O4 Pt2 S2 -

2

GG1053

Llorca, Jordi; Molins, Elies; Espinosa, Enrique; Mata, Ignasi; Miravitlles, Carles; Cervantes, Gemma; Caubet, Amparo; Moreno, Virtudes

Dichloro(D-methionine-N,S)platinum(II) at 130K

Acta Crystallographica Section C

2,001

57

7

804

806

10.1107/S0108270101006874

0.71069

MoKα

null

0.038

null

0.097

null

1.034

null

has coordinates,has Fobs

Llorca, Jordi; Molins, Elies; Espinosa, Enrique; Mata, Ignasi; Miravitlles, Carles; Cervantes, Gemma; Caubet, Amparo; Moreno, Virtudes Dichloro(D-methionine-N,S)platinum(II) at 130K Acta Crystallographica Section C 57(7) (2001) 804-806

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012091.cif $ #-------------------------------------------------------------------...

2,012,092

14.343

0.002

12.778

0.003

7.798

0.002

90

null

102.772

0.018

90

null

1,393.8

0.5

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

Potassium tetrathiocyanatoargentate

Tripotassium tetrathiocyanatosilver(I)

- C4 Ag K3 N4 S4 -

- C16 Ag4 K12 N16 S16 -

4

1

IZ1011

Krautscheid, Harald; Gerber, Stefan

Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]

Acta Crystallographica Section C

2,001

57

7

781

783

10.1107/S0108270101005650

0.71069

MoKα

0.046

0.027

null

0.059

null

1.103

null

has coordinates,has Fobs

Krautscheid, Harald; Gerber, Stefan Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~] Acta Crystallographica Section C 57(7) (2001) 781-783

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012092.cif $ #-------------------------------------------------------------------...

2,012,093

9.8701

0.0006

20.0893

0.0008

10.6229

0.0007

90

null

105.494

0.008

90

null

2,029.8

0.2

213

2

213

2

null

5

P 1 21/n 1

-P 2yn

14

Tetrapotassium hexathiocyanatodiargentate

Tetrapotassium di-μ-thiocyanato-S:S-bis[dicyanatosilver(I)]

- C6 Ag2 K4 N6 S6 -

- C24 Ag8 K16 N24 S24 -

4

1

IZ1011

Krautscheid, Harald; Gerber, Stefan

Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]

Acta Crystallographica Section C

2,001

57

7

781

783

10.1107/S0108270101005650

0.56087

AgKα

0.039

0.035

null

0.085

null

1.045

null

has coordinates,has Fobs

Krautscheid, Harald; Gerber, Stefan Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~] Acta Crystallographica Section C 57(7) (2001) 781-783

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012093.cif $ #-------------------------------------------------------------------...

2,012,094

17.9382

0.0014

10.7801

0.0008

6.6879

0.0006

90

null

90

null

90

null

1,293.28

0.18

213

2

213

2

null

5

P b c a

-P 2ac 2ab

61

Potassium dithiocyanatoargentate

Potassium [silver(I)-di-μ-thiocyanato-S:S]

- C2 Ag K N2 S2 -

- C16 Ag8 K8 N16 S16 -

8

1

IZ1011

Krautscheid, Harald; Gerber, Stefan

Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~]

Acta Crystallographica Section C

2,001

57

7

781

783

10.1107/S0108270101005650

0.71069

MoKα

0.023

0.02

null

0.046

null

1.131

null

has coordinates,has Fobs

Krautscheid, Harald; Gerber, Stefan Potassium thiocyanate argentates: K~3~[Ag(SCN)~4~], K~4~[Ag~2~(SCN)~6~] and K[Ag(SCN)~2~] Acta Crystallographica Section C 57(7) (2001) 781-783

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012094.cif $ #-------------------------------------------------------------------...

2,012,095

17.444

0.002

9.6329

0.0009

12.68

0.001

90

null

110.245

0.002

90

null

1,999.1

0.3

120

null

120

null

4

P 1 21/c 1

-P 2ybc

14

5-(2-Pyridyl)-1,3-dithiane-2-thione

- C9 H9 N S3 -

- C72 H72 N8 S24 -

8

2

JZ1452

Alan Hazell, Alan; McKenzie, Christine J.; Nielsen, Jimmi

5-(2-Pyridyl)-1,3-dithiane-2-thione

Acta Crystallographica Section C

2,001

57

7

859

860

10.1107/S0108270101008198

0.71073

MoKα

null

0.024

null

0.034

null

1.269

null

has coordinates,has Fobs

Alan Hazell, Alan; McKenzie, Christine J.; Nielsen, Jimmi 5-(2-Pyridyl)-1,3-dithiane-2-thione Acta Crystallographica Section C 57(7) (2001) 859-860

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012095.cif $ #-------------------------------------------------------------------...

2,012,096

17.561

0.002

16.728

0.003

17.408

0.006

90

null

102.42

0.02

90

null

4,994

2

203

2

203

2

null

6

P 1 21/c 1

-P 2ybc

14

bis-(octacarbonyl-μ-dicyclohexylphosphido-dirhenium)- dicarbonyl-platinum

- C42 H44 O18 P2 Pt Re4 -

- C168 H176 O72 P8 Pt4 Re16 -

4

1

JZ1465

Haupt, Hans-Jürgen; Flörke, Ulrich; Klose, Stefanie

A pseudo-trigonal bipyramidally coordinated Pt atom in dicarbonylbis(octacarbonyl-μ-dicyclohexylphosphidodirhenio)platinum(II)

Acta Crystallographica Section C

2,001

57

7

810

811

10.1107/S0108270101007399

0.71073

MoKα

0.1606

0.0592

null

0.1698

null

0.974

null

has coordinates,has Fobs

Haupt, Hans-Jürgen; Flörke, Ulrich; Klose, Stefanie A pseudo-trigonal bipyramidally coordinated Pt atom in dicarbonylbis(octacarbonyl-μ-dicyclohexylphosphidodirhenio)platinum(II) Acta Crystallographica Section C 57(7) (2001) 810-811

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012096.cif $ #-------------------------------------------------------------------...

2,012,097

7.8578

0.0005

5.4516

0.0006

12.8276

0.0007

90

null

94.73

0.04

90

null

547.63

0.08

293

2

293

2

null

4

P 1 21 1

P 2yb

4

L-alanine alaninium nitrate

- C6 H15 N3 O7 -

- C12 H30 N6 O14 -

2

1

LN1115

Ramos Silva, Manuela; Paixão, Jose A.; Matos Beja, Ana; Alte da Veiga, Luiz

Strong hydrogen-bonded amino acid dimers in L-alanine alaninium nitrate

Acta Crystallographica Section C

2,001

57

7

838

840

10.1107/S0108270101006072

0.71073

MoKα

0.038

0.029

null

0.083

null

1.103

null

has coordinates,has Fobs

Ramos Silva, Manuela; Paixão, Jose A.; Matos Beja, Ana; Alte da Veiga, Luiz Strong hydrogen-bonded amino acid dimers in L-alanine alaninium nitrate Acta Crystallographica Section C 57(7) (2001) 838-840

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012097.cif $ #-------------------------------------------------------------------...

2,012,098

9.2559

0.0008

10.9527

0.0009

11.6466

0.001

62.867

0.002

71.01

0.002

78.653

0.002

991.93

0.15

293

2

293

2

null

5

P -1

-P 1

2

3-(p-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'- 1',2',3',4'-tetrahydronaphthalen-1'-one

- C24 H18 Cl N O2 -

- C48 H36 Cl2 N2 O4 -

2

1

NA1498

Subbiah Pandi, A.; Banumathi, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Manikandan, S.

3-(p-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'-1',2',3',4'-tetrahydronaphthalen-1'-one

Acta Crystallographica Section C

2,001

57

7

819

820

10.1107/S0108270101003997

0.71073

MoKα

0.1031

0.0646

null

0.1911

null

1.026

null

has coordinates,has Fobs

Subbiah Pandi, A.; Banumathi, S.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Manikandan, S. 3-(p-Chlorophenyl)-4-phenyl-4,5-dihydroisoxazole-5-spiro-2'-1',2',3',4'-tetrahydronaphthalen-1'-one Acta Crystallographica Section C 57(7) (2001) 819-820

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012098.cif $ #-------------------------------------------------------------------...

2,012,099

8.6326

0.0009

13.119

0.001

15.505

0.004

90

null

96.19

0.01

90

null

1,745.7

0.5

293

2

null

5

P 1 21/n 1

-P 2yn

14

- C20 H17 Cl N2 O3 -

- C80 H68 Cl4 N8 O12 -

4

1

NA1513

Vega, Daniel; Fernández, Daniel; Echeverría, Gustavo

Ketazolam

Acta Crystallographica Section C

2,001

57

7

848

850

10.1107/S0108270101006175

0.71073

MoKα

null

0.046

null

0.1317

null

1.071

null

has coordinates,has Fobs

Vega, Daniel; Fernández, Daniel; Echeverría, Gustavo Ketazolam Acta Crystallographica Section C 57(7) (2001) 848-850

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/20/2012099.cif $ #-------------------------------------------------------------------...

2,012,100

12.4311

0.0014

8.4379

0.0005

26.5719

0.0018

90

null

100.115

0.004

90

null

2,743.9

0.4

100

2

100

2

null

3

P 1 21/n 1

-P 2yn

14

- C34 H36 O6 -

- C136 H144 O24 -

4

1

NA1514

Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo

p-Methyltetrahomodioxacalix[4]arene

Acta Crystallographica Section C

2,001

57

7

833

834

10.1107/S0108270101005753

0.71073

MoKα

0.1579

0.0765

null

0.1878

null

0.973

null

has coordinates,has Fobs

Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo p-Methyltetrahomodioxacalix[4]arene Acta Crystallographica Section C 57(7) (2001) 833-834

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012100.cif $ #-------------------------------------------------------------------...

2,012,101

17.1481

0.0002

17.3909

0.0001

15.8023

0.0003

90

null

112.849

0.001

90

null

4,342.79

0.1

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine- 1,8(2H,5H)-dione

- C24 H28 F N O2 -

- C192 H224 F8 N8 O16 -

8

2

NA1517

Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Seshadri, P. R.; Thirumalai, D.

10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione and 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-propyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione

Acta Crystallographica Section C

2,001

57

7

821

824

10.1107/S0108270101005662

0.71073

MoKα

0.153

0.064

null

0.188

null

1.018

null

has coordinates,has Fobs

Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Seshadri, P. R.; Thirumalai, D. 10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione and 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-propyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H...

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012101.cif $ #-------------------------------------------------------------------...

2,012,102

27.454

0.001

12.2738

0.001

16.2792

0.001

90

null

123.118

0.01

90

null

4,594.4

0.7

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

10-(4-fluorophenyl)-9-propyl-3,3,6,6-tetramethyl-3,4,6,7,9,10- hexahydroacridine-1,8(2H,5H)-dione

- C26 H32 F N O2 -

- C208 H256 F8 N8 O16 -

8

1

NA1517

Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Seshadri, P. R.; Thirumalai, D.

10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione and 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-propyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione

Acta Crystallographica Section C

2,001

57

7

821

824

10.1107/S0108270101005662

1.5418

CuKα

0.074

0.051

null

0.196

null

1.103

null

has coordinates

Subbiah Pandi, A.; Velmurugan, D.; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun; Seshadri, P. R.; Thirumalai, D. 10-(4-Fluorophenyl)-3,3,6,6,9-pentamethyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H)-dione and 10-(4-fluorophenyl)-3,3,6,6-tetramethyl-9-propyl-3,4,6,7,9,10-hexahydroacridine-1,8(2H,5H...

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012102.cif $ #-------------------------------------------------------------------...

2,012,103

26.625

0.005

7.863

0.002

10.23

0.002

90

null

90

null

90

null

2,141.7

0.8

293

2

293

2

null

5

P b c n

-P 2n 2ab

60

melaminium di-p-phenolsulfonate dihydrate

2,4,6-triamino-1,3,5-triazine-1,3-diium bis(4-hydroxybenzenesulfonate) dihydrate

- C15 H22 N6 O10 S2 -

- C60 H88 N24 O40 S8 -

4

0.5

NA1522

Jan Janczak; Genivaldo Julio Perpétuo

Melaminium bis(4-hydroxybenzenesulfonate) dihydrate

Acta Crystallographica Section C

2,001

57

7

873

875

10.1107/S0108270101007600

0.71073

MoKα

0.068

0.036

null

0.098

null

1.058

null

has coordinates,has Fobs

Jan Janczak; Genivaldo Julio Perpétuo Melaminium bis(4-hydroxybenzenesulfonate) dihydrate Acta Crystallographica Section C 57(7) (2001) 873-875

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012103.cif $ #-------------------------------------------------------------------...

2,012,104

10.559

0.004

11.658

0.004

23.169

0.007

90

null

100.54

0.03

90

null

2,803.9

1.7

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

2-[(4-methylphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline

- C30 H28 N2 O4 S2 -

- C120 H112 N8 O16 S8 -

4

1

SK1466

Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.

A series of three (E)-2-alkylidene-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline compounds

Acta Crystallographica Section C

2,001

57

7

861

864

10.1107/S0108270101006588

0.71073

MoKα

0.0669

0.0459

null

0.1304

null

1.027

null

has coordinates,has Fobs

Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J. A series of three (E)-2-alkylidene-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline compounds Acta Crystallographica Section C 57(7) (2001) 861-864

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012104.cif $ #-------------------------------------------------------------------...

2,012,105

10.546

0.001

11.844

0.001

21.985

0.003

90

null

101.25

0.01

90

null

2,693.3

0.5

160

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

2-[(4-methoxyphenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline

- C30 H28 N2 O5 S2 -

- C120 H112 N8 O20 S8 -

4

1

SK1466

Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.

A series of three (E)-2-alkylidene-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline compounds

Acta Crystallographica Section C

2,001

57

7

861

864

10.1107/S0108270101006588

0.71073

MoKα

0.0661

0.0422

null

0.1099

null

1.017

null

has coordinates,has Fobs

Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J. A series of three (E)-2-alkylidene-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline compounds Acta Crystallographica Section C 57(7) (2001) 861-864

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012105.cif $ #-------------------------------------------------------------------...

2,012,106

10.5361

0.001

24.04

0.003

10.6146

0.001

90

null

93.863

0.01

90

null

2,682.4

0.5

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

2-[(4-chlorophenyl)methylidene]-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline

- C29 H25 Cl N2 O4 S2 -

- C116 H100 Cl4 N8 O16 S8 -

4

1

SK1466

Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J.

A series of three (E)-2-alkylidene-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline compounds

Acta Crystallographica Section C

2,001

57

7

861

864

10.1107/S0108270101006588

0.71073

MoKα

0.1208

0.0493

null

0.1084

null

0.956

null

has coordinates,has Fobs

Banerjee, Surajit; Mukherjee, Alok K.; Mukhopadhyay, Rupa; Kundu, Nitya G.; Welch, Alan J. A series of three (E)-2-alkylidene-1,4-di-p-tosyl-1,2,3,4-tetrahydroquinoxaline compounds Acta Crystallographica Section C 57(7) (2001) 861-864

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012106.cif $ #-------------------------------------------------------------------...

2,012,107

20.1931

0.0005

20.2156

0.0004

23.199

0.0004

90

null

90

null

90

null

9,470.2

0.3

173

2

173

2

null

6

P b c a

-P 2ac 2ab

61

Chlorotris(N,N'-dicyclohexylthiorea-S)tellurium(II) chloride

- C39 H72 Cl2 N6 S3 Te -

- C312 H576 Cl16 N48 S24 Te8 -

8

1

SK1475

Husebye, Steinar; Törnroos, Karl W.; Haizhong, Zhu

Chlorotris(N,N'-dicyclohexylthiourea-S)tellurium(II) chloride, a tellurium complex with a TeClS~3~ coordination sphere

Acta Crystallographica Section C

2,001

57

7

854

856

10.1107/S010827010100659X

0.71073

MoKα

0.076

0.03

null

0.066

null

0.919

null

has coordinates,has Fobs

Husebye, Steinar; Törnroos, Karl W.; Haizhong, Zhu Chlorotris(N,N'-dicyclohexylthiourea-S)tellurium(II) chloride, a tellurium complex with a TeClS~3~ coordination sphere Acta Crystallographica Section C 57(7) (2001) 854-856

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012107.cif $ #-------------------------------------------------------------------...

2,012,108

7.0956

0.0014

19.035

0.004

15.312

0.003

90

null

100.61

0.03

90

null

2,032.8

0.7

150

2

null

5

P 1 21/n 1

-P 2yn

14

- C22 H25 N3 O3 S -

- C88 H100 N12 O12 S4 -

4

1

SK1476

Coe, Benjamin J.; Harris, James A.; Coles, Simon J.; Hursthouse, Michael B.

trans-4-[(4-Dimethylaminophenyl)iminomethyl]-N-methylpyridinium para-toluenesulfonate

Acta Crystallographica Section C

2,001

57

7

857

858

10.1107/S0108270101008009

0.71073

MoKα

null

0.0487

null

0.1145

null

0.939

null

has coordinates,has Fobs

Coe, Benjamin J.; Harris, James A.; Coles, Simon J.; Hursthouse, Michael B. trans-4-[(4-Dimethylaminophenyl)iminomethyl]-N-methylpyridinium para-toluenesulfonate Acta Crystallographica Section C 57(7) (2001) 857-858

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012108.cif $ #-------------------------------------------------------------------...

2,012,109

5.183

0.0005

15.22

0.003

29.63

0.01

90

null

90

null

90

null

2,337.4

0.9

295

3

295

3

null

5

P 21 21 21

P 2ac 2ab

19

N,N'-oxalyl-bis(L-phenylalanine amide) dymethylsuphoxide solvate

- C22 H28 N4 O5 S -

- C20 H22 N4 O4 -

- C80 H88 N16 O16 -

4

1

SK1478

Perić, Berislav; Makarević, Janja; Jokić, Milan; Kojić-Prodić, Biserka; Žinić, Mladen

Intermolecular contacts in the crystal packing of 2,2'-(N,N'-oxalyldiimino)bis(3-phenylpropanamide) dimethyl sulfoxide solvate

Acta Crystallographica Section C

2,001

57

7

865

867

10.1107/S0108270101007041

1.54178

CuKα

0.0828

0.0431

null

0.12

null

1.008

null

has coordinates,has Fobs

Perić, Berislav; Makarević, Janja; Jokić, Milan; Kojić-Prodić, Biserka; Žinić, Mladen Intermolecular contacts in the crystal packing of 2,2'-(N,N'-oxalyldiimino)bis(3-phenylpropanamide) dimethyl sulfoxide solvate Acta Crystallographica Section C 57(7) (2001) 865-867

201,957

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $ #$Revision: 201957 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012109.cif $ #-------------------------------------------------------------------...

2,012,110

9.568

0.002

11.567

0.003

14.01

0.004

83.37

0.02

80.69

0.05

72.08

0.03

1,452.3

0.7

293

2

293

2

null

4

P -1

-P 1

2

3,3'-Benzylidenebis(4-hydroxy-5,7-dimethyl-2H-chromen-2-one)piperidine(1:1) or 3, 3'-(phenylmethylene)bis[4-hydroxy-5,7-dimethyl-2H-1-benzopyran-2-one] piperidine(1:1) or 3, 3'-Benzylidenebis(5,7-dimethyl-4-hydroxycoumarin)

- C34 H35 N O6 -

- C68 H70 N2 O12 -

2

1

VJ1122

Vijayalakshmi, L.; Parthasarathi, V.; Vipul, Vora; Bhavik, Desai; Anamik, Shah

Piperidinium 3-[(4-hydroxy-5,7-dimethyl-2-oxo-2H-chromen-3-yl)phenylmethyl]-5,7-dimethyl-2-oxo-2H-chromen-4-olate

Acta Crystallographica Section C

2,001

57

7

817

818

10.1107/S010827010100364X

0.71073

MoKα

0.0583

0.0456

null

0.1375

null

1.042

null

has coordinates,has Fobs

Vijayalakshmi, L.; Parthasarathi, V.; Vipul, Vora; Bhavik, Desai; Anamik, Shah Piperidinium 3-[(4-hydroxy-5,7-dimethyl-2-oxo-2H-chromen-3-yl)phenylmethyl]-5,7-dimethyl-2-oxo-2H-chromen-4-olate Acta Crystallographica Section C 57(7) (2001) 817-818

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012110.cif $ #-------------------------------------------------------------------...

2,012,111

8.8173

0.0014

10.8916

0.0017

11.2986

0.0017

115.254

0.003

99.964

0.003

106.135

0.003

888

0.2

293

2

null

6

P -1

-P 1

2

Bis[chloro(1-(2-hydroxybenzyl)-1,5-diazacyclooctane) zinc(II) acetone]

- C32 H50 Cl2 N4 O4 Zn2 -

1

0.5

BJ1029

Xu, Qiang; Du, Miao; Guo, Ya-Mei; Bu, Xian-He

Bis{μ-2-[(1,5-diaza-1-cyclooctyl)methyl]phenolato-N,N',O:O}bis[chlorozinc(II)] diacetone solvate: design of a square-pyramidal ZnN~2~O~2~Cl complex

Acta Crystallographica Section C

2,001

57

8

893

894

10.1107/S0108270101007004

0.71073

MoKα

null

0.0298

null

0.075

null

1.02

null

has coordinates,has Fobs

Xu, Qiang; Du, Miao; Guo, Ya-Mei; Bu, Xian-He Bis{μ-2-[(1,5-diaza-1-cyclooctyl)methyl]phenolato-N,N',O:O}bis[chlorozinc(II)] diacetone solvate: design of a square-pyramidal ZnN~2~O~2~Cl complex Acta Crystallographica Section C 57(8) (2001) 893-894

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012111.cif $ #-------------------------------------------------------------------...

2,012,112

11.9647

0.0011

8.3276

0.0007

7.6054

0.0007

90

null

90

null

90

null

757.78

0.12

293

2

293

2

null

4

P n a 21

P 2c -2n

33

isonipecotic acid

4-piperidinecarboxylic acid

- C6 H13 N O3 -

- C24 H52 N4 O12 -

4

1

BK1590

Delgado, Gerzon; Mora, Asiloé J.; Bahsas, Ali

Zwitterionic 4-piperidinecarboxylic acid monohydrate

Acta Crystallographica Section C

2,001

57

8

965

967

10.1107/S0108270101007958

0.71073

MoKα

0.038

0.037

null

0.101

null

1.05

null

has coordinates,has Fobs

Delgado, Gerzon; Mora, Asiloé J.; Bahsas, Ali Zwitterionic 4-piperidinecarboxylic acid monohydrate Acta Crystallographica Section C 57(8) (2001) 965-967

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012112.cif $ #-------------------------------------------------------------------...

2,012,113

7.0958

0.0013

16.05

0.003

16.856

0.004

90

null

90

null

90

null

1,919.7

0.7

203

2

203

2

null

4

P 21 21 21

P 2ac 2ab

19

7-bromo-4β,6-dihydro-1β-isopropyl-4α-methoxycarbonyl-3aα,8- dimethylcyclopenta[a-1a,3a,4,5-tetrahydronaphthalen-5-one]

- C20 H25 Br O5 -

- C80 H100 Br4 O20 -

4

1

BK1599

Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Wellington, Keri D.

Hamigerin A and a hamigerin D decomposition product

Acta Crystallographica Section C

2,001

57

8

958

960

10.1107/S0108270101007442

0.71073

MoKα

0.0476

0.0404

null

0.1071

null

1.066

null

has coordinates,has Fobs

Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Wellington, Keri D. Hamigerin A and a hamigerin D decomposition product Acta Crystallographica Section C 57(8) (2001) 958-960

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012113.cif $ #-------------------------------------------------------------------...

2,012,114

10.0979

0.0001

20.5473

0.0002

10.7452

0.0001

90

null

106.685

0.001

90

null

2,135.6

0.04

203

2

203

2

null

5

P 1 21 1

P 2yb

4

8-bromo-5-(2'α-carboxymethyl-5'α-isopropyl-2'β-methyl)-3-imono- 7-methyl-2,3-dihydrobenzopyran-4-one

- C21 H28 Br N O4 -

- C84 H112 Br4 N4 O16 -

4

2

BK1599

Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Wellington, Keri D.

Hamigerin A and a hamigerin D decomposition product

Acta Crystallographica Section C

2,001

57

8

958

960

10.1107/S0108270101007442

0.71073

MoKα

0.0434

0.0295

null

0.0649

null

0.852

null

has coordinates,has Fobs

Cambie, Richard C.; Rickard, Clifton E. F.; Rutledge, P. Stewart; Wellington, Keri D. Hamigerin A and a hamigerin D decomposition product Acta Crystallographica Section C 57(8) (2001) 958-960

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012114.cif $ #-------------------------------------------------------------------...

2,012,115

16.647

0.003

16.385

0.003

8.053

0.0016

90

null

98.08

0.03

90

null

2,174.7

0.7

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

bis(Isothiocyanato-(2,2'-Bipyridine))-nickel(ii)

- C22 H16 N6 Ni S2 -

- C88 H64 N24 Ni4 S8 -

4

1

BK1604

Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo

Comparative X-ray study of three nickel(II)–thiocyanate compounds

Acta Crystallographica Section C

2,001

57

8

905

908

10.1107/S0108270101008460

0.71073

MoKα

0.11

0.063

null

0.205

null

1.04

null

has coordinates

Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo Comparative X-ray study of three nickel(II)–thiocyanate compounds Acta Crystallographica Section C 57(8) (2001) 905-908

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012115.cif $ #-------------------------------------------------------------------...

2,012,116

13.018

0.003

10.116

0.002

17.536

0.004

90

null

90

null

90

null

2,309.3

0.9

293

2

293

2

null

5

P b c n

-P 2n 2ab

60

bis(Isothiocyanato-(1,10-Phenanthroline))-nickel(ii)

- C26 H16 N6 Ni S2 -

- C104 H64 N24 Ni4 S8 -

4

0.5

BK1604

Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo

Comparative X-ray study of three nickel(II)–thiocyanate compounds

Acta Crystallographica Section C

2,001

57

8

905

908

10.1107/S0108270101008460

0.71073

MoKα

0.094

0.029

null

0.091

null

0.968

null

has coordinates,has Fobs

Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo Comparative X-ray study of three nickel(II)–thiocyanate compounds Acta Crystallographica Section C 57(8) (2001) 905-908

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012116.cif $ #-------------------------------------------------------------------...

2,012,117

9.689

0.001

10.757

0.001

14.754

0.001

77.71

0.01

79

0.01

70.07

0.01

1,400.8

0.2

293

2

293

2

null

6

P -1

-P 1

2

bis(Isothiocyanato-(2,9-dimethyl-1,10-phenanthroline))-nickel(ii) hydrate

- C30 H26 N6 Ni O S2 -

- C30 H24 N6 Ni O0.404 S2 -

- C60 H48 N12 Ni2 O0.808 S4 -

2

1

BK1604

Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo

Comparative X-ray study of three nickel(II)‒thiocyanate compounds

Acta Crystallographica Section C

2,001

57

8

905

908

10.1107/S0108270101008460

0.71073

MoKα

0.071

0.04

null

0.081

null

0.972

null

has coordinates,has Fobs

Freire, Eleonora; Baggio, Sergio; Suescun, Leopoldo; Baggio, Ricardo Comparative X-ray study of three nickel(II)‒thiocyanate compounds Acta Crystallographica Section C 57(8) (2001) 905-908

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012117.cif $ #-------------------------------------------------------------------...

2,012,118

9.7411

0.0009

7.5931

0.0007

17.444

0.002

90

null

112.682

0.008

90

null

1,190.5

0.2

293

1

293

1

null

4

I 1 2/a 1

-I 2ya

15

pyrrole-2-thiocarboxamide

1H-pyrrole-2-carbothioamide

- C5 H6 N2 S -

- C40 H48 N16 S8 -

8

1

BM1450

Smith, Matt C.; Davies, Sian C.; Hughes, David L.; Evans, David J.

1H-Pyrrole-2-carbothioamide

Acta Crystallographica Section C

2,001

57

8

987

988

10.1107/S0108270101008423

0.71069

Mo-Kα

0.047

0.035

null

0.092

0.102

null

1.086

1.05

null

has coordinates,has Fobs

Smith, Matt C.; Davies, Sian C.; Hughes, David L.; Evans, David J. 1H-Pyrrole-2-carbothioamide Acta Crystallographica Section C 57(8) (2001) 987-988

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012118.cif $ #-------------------------------------------------------------------...

2,012,119

11.9794

0.0018

8.9951

0.0013

10.0786

0.0016

90

null

101.557

0.003

90

null

1,064

0.3

110

2

110

2

null

4

P 1 21/c 1

-P 2ybc

14

2-cyano-5-phenyl-pent-2-en-4-ynoic acid N-methylamide form (I)

- C13 H10 N2 O -

- C52 H40 N8 O4 -

4

1

BM1452

Borbulevych, Oleg Ya.; Golding, Igor R.; Shchegolikhin, Alexander N.; Klemenkova, Zinaida S.; Antipin, Mikhail Yu.

Conformational polymorphs of 22-cyano-N-methyl-5-phenylpent-2-en-4-ynamide

Acta Crystallographica Section C

2,001

57

8

996

998

10.1107/S010827010100909X

0.71073

MoKα

0.063

0.044

null

0.116

null

0.97

null

has coordinates,has Fobs

Borbulevych, Oleg Ya.; Golding, Igor R.; Shchegolikhin, Alexander N.; Klemenkova, Zinaida S.; Antipin, Mikhail Yu. Conformational polymorphs of 22-cyano-N-methyl-5-phenylpent-2-en-4-ynamide Acta Crystallographica Section C 57(8) (2001) 996-998

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012119.cif $ #-------------------------------------------------------------------...

2,012,120

22.652

0.012

9.728

0.007

10.269

0.005

90

null

97.29

0.04

90

null

2,245

2

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2-cyano-5-phenyl-pent-2-en-4-ynoic acid N-methylamide form (II)

- C13 H10 N2 O -

- C104 H80 N16 O8 -

8

2

BM1452

Borbulevych, Oleg Ya.; Golding, Igor R.; Shchegolikhin, Alexander N.; Klemenkova, Zinaida S.; Antipin, Mikhail Yu.

Conformational polymorphs of 22-cyano-N-methyl-5-phenylpent-2-en-4-ynamide

Acta Crystallographica Section C

2,001

57

8

996

998

10.1107/S010827010100909X

0.71073

MoKα

0.165

0.052

null

0.169

null

0.959

null

has coordinates,has Fobs

Borbulevych, Oleg Ya.; Golding, Igor R.; Shchegolikhin, Alexander N.; Klemenkova, Zinaida S.; Antipin, Mikhail Yu. Conformational polymorphs of 22-cyano-N-methyl-5-phenylpent-2-en-4-ynamide Acta Crystallographica Section C 57(8) (2001) 996-998

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012120.cif $ #-------------------------------------------------------------------...

2,012,121

5.1456

0.0005

6.0794

0.0005

5.1291

0.0006

90

null

108.859

0.008

90

null

151.84

0.03

293

2

293

2

null

3

P 1 2/c 1

-P 2yc

13

- Li3 O4 Sb -

- Li6 O8 Sb2 -

2

0.5

BR1318

Bernès, Sylvain; Trujillo Tovar, Sonia; Castellanos R., María A.

A comparison of the X-ray single-crystal structure of Li~3~SbO~4~ with the Rietveld refinement

Acta Crystallographica Section C

2,001

57

8

883

884

10.1107/S0108270101007569

0.71073

MoKα

0.0163

0.0149

null

0.0355

null

1.043

null

has coordinates

Bernès, Sylvain; Trujillo Tovar, Sonia; Castellanos R., María A. A comparison of the X-ray single-crystal structure of Li~3~SbO~4~ with the Rietveld refinement Acta Crystallographica Section C 57(8) (2001) 883-884

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012121.cif $ #-------------------------------------------------------------------...

2,012,122

17.123

0.008

17.123

0.008

12.255

0.006

90

null

90

null

90

null

3,593

3

20

2

20

2

null

5

I -4

82

Dodecanuclear mixed-1valence manganese carboxylate

tetraaquahexadecaacetatododecaoxododecamanganese bis(acetic acid) tetrahydrate

- C36 H18 D54 Mn12 O56 -

- C72 H36 D108 Mn24 O112 -

2

0.25

BR1327

Langan, Paul; Robinson, Robert, A.; Brown, P. Jane; Argyriou, Dimitri, N.; Hendrickson, David, N.; Christou, George

A low-temperature neutron diffraction study of Mn~12~-acetate

Acta Crystallographica Section C

2,001

57

8

909

910

10.1107/S0108270101008599

neutron

0.8405

neutron

0.095

0.089

null

0.209

null

1.57

null

has coordinates,has Fobs

Langan, Paul; Robinson, Robert, A.; Brown, P. Jane; Argyriou, Dimitri, N.; Hendrickson, David, N.; Christou, George A low-temperature neutron diffraction study of Mn~12~-acetate Acta Crystallographica Section C 57(8) (2001) 909-910

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012122.cif $ #-------------------------------------------------------------------...

2,012,123

16.131

0.007

18.07

0.008

14.349

0.006

90

null

91.95

0.02

90

null

4,180

3

295

2

295

2

null

4

P 1 21/n 1

-P 2yn

14

1-(4-Nitrophenyl)-2-phenylimino-2,5-dihydro-1H-pyrido[3,2-b]indole-3- carbonitrile

- C24 H15 N5 O2 -

- C192 H120 N40 O16 -

8

2

BR1336

Chernyshev, Vladimir V.; Tafeenko, Victor A.; Ryabova, Svetlana Yu.; Sonneveld, Eduard J.; Schenk, Hendrik

Thermal isomerization pathway of 1-(4-nitrophenyl)-2-phenylimino-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile discovered by laboratory powder data

Acta Crystallographica Section C

2,001

57

8

982

984

10.1107/S0108270101008356

1.54059

CuKα~1~

null

2.5

null

has coordinates

Chernyshev, Vladimir V.; Tafeenko, Victor A.; Ryabova, Svetlana Yu.; Sonneveld, Eduard J.; Schenk, Hendrik Thermal isomerization pathway of 1-(4-nitrophenyl)-2-phenylimino-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile discovered by laboratory powder data Acta Crystallographica Section C 57(8) (2001) 9...

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012123.cif $ #-------------------------------------------------------------------...

2,012,124

22.466

0.008

24.859

0.009

6.906

0.003

90

null

90

null

90

null

3,857

3

295

2

295

2

null

4

P b c a

-P 2ac 2ab

61

2-[(4-Nitrophenyl)-phenylamino]-5H-pyrido[3,2-b]indole-3-carbonitrile

- C24 H15 N5 O2 -

- C192 H120 N40 O16 -

8

1

BR1336

Chernyshev, Vladimir V.; Tafeenko, Victor A.; Ryabova, Svetlana Yu.; Sonneveld, Eduard J.; Schenk, Hendrik

Thermal isomerization pathway of 1-(4-nitrophenyl)-2-phenylimino-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile discovered by laboratory powder data

Acta Crystallographica Section C

2,001

57

8

982

984

10.1107/S0108270101008356

1.54059

CuKα~1~

null

2.72

null

has coordinates

Chernyshev, Vladimir V.; Tafeenko, Victor A.; Ryabova, Svetlana Yu.; Sonneveld, Eduard J.; Schenk, Hendrik Thermal isomerization pathway of 1-(4-nitrophenyl)-2-phenylimino-2,5-dihydro-1H-pyrido[3,2-b]indole-3-carbonitrile discovered by laboratory powder data Acta Crystallographica Section C 57(8) (2001) 9...

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012124.cif $ #-------------------------------------------------------------------...

2,012,125

12.343

0.002

5.273

0.001

26.029

0.007

90

null

101.54

0.02

90

null

1,659.8

0.6

295

null

3

P 1 21/n 1

-P 2yn

14

- C17 H10 S5 -

- C68 H40 S20 -

4

1

FR1325

Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal

5,6-Diphenyl[1,3]dithiolo[4,5-b]dithiine-2-thione

Acta Crystallographica Section C

2,001

57

8

926

928

10.1107/S0108270101006679

1.5418

CuKα

null

0.0575

null

0.1493

null

1.06

null

has coordinates

Kaynak, F. Betül; Özbey, Süheyla; Öztürk, Turan; Ertaş, Erdal 5,6-Diphenyl[1,3]dithiolo[4,5-b]dithiine-2-thione Acta Crystallographica Section C 57(8) (2001) 926-928

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012125.cif $ #-------------------------------------------------------------------...

2,012,126

7.64

0.002

8.606

0.006

30.307

0.017

90

null

90.25

0.03

90

null

1,992.7

1.9

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxycarbo nyl)

- C21 H27 N O6 -

- C84 H108 N4 O24 -

4

1

FR1330

Caignan, Gregori A.; Holt, Elizabeth M.

Diethyl 4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, conformational change with solvent of crystallization

Acta Crystallographica Section C

2,001

57

8

934

935

10.1107/S0108270101006916

0.71073

MoKα

0.1092

0.0569

null

0.1131

null

1.027

null

has coordinates

Caignan, Gregori A.; Holt, Elizabeth M. Diethyl 4-(2,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, conformational change with solvent of crystallization Acta Crystallographica Section C 57(8) (2001) 934-935

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012126.cif $ #-------------------------------------------------------------------...

2,012,127

7.043

0.001

28.741

0.006

5.94

0.001

90

null

103.06

0.03

90

null

1,171.3

0.4

293

2

293

2

null

5

C 1 c 1

C -2yc

9

catena-Poly[aqua copper(II)-μ-(1-oxido-N-naphthylideneglycinato-O,N,O':O')]

- C13 H11 Cu N O4 -

- C52 H44 Cu4 N4 O16 -

4

1

GD1148

Maniukiewicz, Waldemar; Bukowska-Strzyżewska, Maria

catena-Poly[aquacopper(II)-μ-[N-(1-oxido-2-naphthylmethylene)glycinato-O,N,O':O']]

Acta Crystallographica Section C

2,001

57

8

889

890

10.1107/S0108270101006060

0.71073

MoKα

0.039

0.034

null

0.099

null

1.062

null

has coordinates,has Fobs

Maniukiewicz, Waldemar; Bukowska-Strzyżewska, Maria catena-Poly[aquacopper(II)-μ-[N-(1-oxido-2-naphthylmethylene)glycinato-O,N,O':O']] Acta Crystallographica Section C 57(8) (2001) 889-890

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012127.cif $ #-------------------------------------------------------------------...

2,012,128

12.6464

0.0003

8.4615

0.0002

10.4323

0.0002

90

null

96.578

0.001

90

null

1,108.99

0.04

120

0.2

120

0.2

null

3

P 1 21/c 1

-P 2ybc

14

trans-1,2,3-tris-(1'-hydroxycyclopropyl)cyclopropane

- C12 H18 O3 -

- C48 H72 O12 -

4

1

GD1150

Yufit, Dmitrii S.; Howard, Judith A.K.; Kozhushkov, Sergei I.; Kostikov, Rafael R.; de Meijere, Armin

trans-1,2,3-Tris(1-hydroxycyclopropyl)cyclopropane

Acta Crystallographica Section C

2,001

57

8

968

969

10.1107/S010827010100796X

0.71073

MoKα

0.0553

0.0419

null

0.1034

null

1.102

null

has coordinates

Yufit, Dmitrii S.; Howard, Judith A.K.; Kozhushkov, Sergei I.; Kostikov, Rafael R.; de Meijere, Armin trans-1,2,3-Tris(1-hydroxycyclopropyl)cyclopropane Acta Crystallographica Section C 57(8) (2001) 968-969

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012128.cif $ #-------------------------------------------------------------------...

2,012,129

12.85

0.002

25.824

0.007

13.308

0.002

90

null

105.77

0.01

90

null

4,249.9

1.5

293

2

293

2

null

7

P 1 21/n 1

-P 2yn

14

[(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)]0.5(CH~2~Cl~2~)

8-methoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane hemisolvate

- C37.5 H45 B10 Cl O P2 Pt -

- C150 H180 B40 Cl4 O4 P8 Pt4 -

4

1

GD1151

Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju

Three monoalkoxy-substituted nido-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]

Acta Crystallographica Section C

2,001

57

8

897

899

10.1107/S0108270101007788

0.71069

MoKα

0.055

0.037

null

0.105

null

1.04

null

has coordinates,has Fobs

Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju Three monoalkoxy-substituted nido-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}] Acta Crystallographica Section C 5...

176,435

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $ #$Revision: 176435 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012129.cif $ #-------------------------------------------------------------------...

2,012,130

11.114

0.003

21.634

0.008

18.99

0.008

90

null

103.75

0.03

90

null

4,435

3

293

2

293

2

null

7

P 1 21/n 1

-P 2yn

14

{(PPh~3~)~2~PtB~10~H~11~-8-[OCH(CH~3~)~2~]}(CH~2~Cl~2~)

8-isopropoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane solvate

- C40 H50 B10 Cl2 O P2 Pt -

- C160 H200 B40 Cl8 O4 P8 Pt4 -

4

1

GD1151

Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju

Three monoalkoxy-substituted nido-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]

Acta Crystallographica Section C

2,001

57

8

897

899

10.1107/S0108270101007788

0.71073

MoKα

0.164

0.069

null

0.238

null

1.375

null

has coordinates,has Fobs

Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju Three monoalkoxy-substituted nido-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}] Acta Crystallographica Section C 5...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012130.cif $ #-------------------------------------------------------------------...

2,012,131

13.435

0.003

17.864

0.004

19.383

0.004

90

null

105.94

0.02

90

null

4,473.1

1.7

293

2

293

2

null

7

P 1 21/n 1

-P 2yn

14

{(PPh~3~)~2~PtB~10~H~11~-9-[OCH(CH~3~)~2~]}(CH~2~Cl~2~)

9-isopropoxy-7,7-bis(triphenylphosphorine-P)- 8,9:10,11-di-μ-H-7-platina-nido-undecaborane dichloromethane solvate

- C40 H50 B10 Cl2 O P2 Pt -

- C160 H200 B40 Cl8 O4 P8 Pt4 -

4

1

GD1151

Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju

Three monoalkoxy-substituted nido-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}]

Acta Crystallographica Section C

2,001

57

8

897

899

10.1107/S0108270101007788

0.71069

MoKα

0.057

0.035

null

0.096

null

1.027

null

has coordinates,has Fobs

Nie, Yong; Hu, Chun-Hua; Li, Xue; Yong, Wei; Dou, Jian Min; Sun, Jie; Jin, Ruo-Shui; Zheng, Pei-Ju Three monoalkoxy-substituted nido-platinaboranes: [(PPh~3~)~2~PtB~10~H~11~-8-(OCH~3~)], [(PPh~3~)~2~PtB~10~H~11~-8-{OCH(CH~3~)~2~}] and [(PPh~3~)~2~PtB~10~H~10~-9-{OCH(CH~3~)~2~}] Acta Crystallographica Section C 5...

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012131.cif $ #-------------------------------------------------------------------...

2,012,132

8.163

0.0011

16.3957

0.001

11.5686

0.0014

90

null

98.622

0.011

90

null

1,530.8

0.3

294

2

294

2

null

5

P 1 21/n 1

-P 2yn

14

[3-Co{η^5^-(2,5-(CH~3~)~2~-NC~4~H~2~)}-1-CH~3~-1,2-C~2~B~9~H~10~]

- C9 H21 B9 Co N -

- C36 H84 B36 Co4 N4 -

4

1

GD1152

Sillanpää, Reijo; Llop, Jordi; Viñas, Clara; Teixidor, Frances; Kivekäs, Raikko

η^5^-(3)-1-Methyl-1,2-dicarbollyl-η^5^-2',5'-dimethylpyrrolylcobalt(III)

Acta Crystallographica Section C

2,001

57

8

900

901

10.1107/S0108270101007971

0.71069

MoKα

0.0474

0.0302

null

0.0767

null

1.061

null

has coordinates,has Fobs

Sillanpää, Reijo; Llop, Jordi; Viñas, Clara; Teixidor, Frances; Kivekäs, Raikko η^5^-(3)-1-Methyl-1,2-dicarbollyl-η^5^-2',5'-dimethylpyrrolylcobalt(III) Acta Crystallographica Section C 57(8) (2001) 900-901

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012132.cif $ #-------------------------------------------------------------------...

2,012,133

9.6165

0.0007

9.0032

0.0007

9.6231

0.0007

90

null

90.951

0.002

90

null

833.05

0.11

298

null

298

null

6

I 1 2/a 1

-I 2ya

15

beryllophosphate gismondine

- C H5 Be N O4 P -

- C8 H40 Be8 N8 O32 P8 -

8

1

GD1154

Harrison, William T. A.

[H~3~N(CH~2~)~2~NH~3~]~0.5~[BePO~4~], a beryllophosphate analogue of aluminosilicate zeolite gismondine

Acta Crystallographica Section C

2,001

57

8

891

892

10.1107/S0108270101006928

0.71073

MoKα

0.048

0.035

null

0.093

null

1.02

null

has coordinates,has Fobs

Harrison, William T. A. [H~3~N(CH~2~)~2~NH~3~]~0.5~[BePO~4~], a beryllophosphate analogue of aluminosilicate zeolite gismondine Acta Crystallographica Section C 57(8) (2001) 891-892

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012133.cif $ #-------------------------------------------------------------------...

2,012,134

5.903

0.0012

27.549

0.006

23.371

0.005

90

null

101.22

0.03

90

null

3,728

1.4

215

2

215

2

null

4

P 1 21/c 1

-P 2ybc

14

Hexamethylenetetramine-sebacic acid

Decanedioic acid-1,3,5,7-Tetraazatricyclo[3.3.1.1^3,7^]decane (1/1)

- C16 H30 N4 O4 -

- C128 H240 N32 O32 -

8

2

GG1054

Gardon, Manuel; Schönleber, Andreas; Chapuis, Gervais; Hostettler, Marc; Bonin, Michel

The lock-in phase in the urotropine–sebacic acid system

Acta Crystallographica Section C

2,001

57

8

936

938

10.1107/S0108270101007028

0.71073

MoKα

0.111

0.057

null

0.064

null

1.625

null

has coordinates,has Fobs

Gardon, Manuel; Schönleber, Andreas; Chapuis, Gervais; Hostettler, Marc; Bonin, Michel The lock-in phase in the urotropine–sebacic acid system Acta Crystallographica Section C 57(8) (2001) 936-938

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012134.cif $ #-------------------------------------------------------------------...

2,012,135

10.9948

0.001

9.6922

0.001

21.381

0.005

90

null

94.815

0.01

90

null

2,270.4

0.6

293

2

293

2

null

7

P 1 2/n 1

-P 2yac

13

1,2-bis(N-fluoro-p-toluenesulfonamido)ethane

- C17 H19 Cl3 F2 N2 O4 S2 -

- C68 H76 Cl12 F8 N8 O16 S8 -

4

1

GG1055

Ardeshir, Khazaei; Banks, R. Eric; Besheesh, Mohammed K.; Brisdon, Alan K.; Pritchard, Robin G.

1,2-Bis(N-fluoro-p-toluenesulfonamido)ethane chloroform solvate

Acta Crystallographica Section C

2,001

57

8

970

972

10.1107/S0108270101007983

0.71073

MoKα

0.092

0.05

null

0.142

null

1.042

null

has coordinates,has disorder,has Fobs

Ardeshir, Khazaei; Banks, R. Eric; Besheesh, Mohammed K.; Brisdon, Alan K.; Pritchard, Robin G. 1,2-Bis(N-fluoro-p-toluenesulfonamido)ethane chloroform solvate Acta Crystallographica Section C 57(8) (2001) 970-972

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012135.cif $ #-------------------------------------------------------------------...

2,012,136

8.2903

0.0002

12.0158

0.0002

13.835

0.0003

75.6616

0.001

79.4036

0.0011

84.9664

0.0009

1,311.18

0.05

150

null

150

null

4

P -1

-P 1

2

Tetrakis(dimethylamido)vanadium

- C8 H24 N4 V -

- C32 H96 N16 V4 -

4

2

GG1056

Dubberley, Stuart R.; Tyrrell, Ben R.; Mountford, Philip

Tetrakis(dimethylamido)vanadium(IV)

Acta Crystallographica Section C

2,001

57

8

902

904

10.1107/S0108270101008368

0.71073

MoKα

null

0.0325

null

0.0431

null

1.05

null

has coordinates

Dubberley, Stuart R.; Tyrrell, Ben R.; Mountford, Philip Tetrakis(dimethylamido)vanadium(IV) Acta Crystallographica Section C 57(8) (2001) 902-904

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012136.cif $ #-------------------------------------------------------------------...

2,012,137

7.0529

0.0002

8.1852

0.0002

8.745

0.0006

63.365

0.002

89.575

0.002

88.637

0.003

451.14

0.04

150

2

150

2

null

5

P -1

-P 1

2

Diaqua[6-amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)dionato]sodium

- C5 H9 N4 Na O5 -

- C10 H18 N8 Na2 O10 -

2

1

GG1058

Cuesta, Rafael; Arranz-Mascarós, Paloma; Low, John N.; Glidewell, Christopher

[6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato]sodium dihydrate at 150K: coordination-polymer ladders linked by hydrogen bonds

Acta Crystallographica Section C

2,001

57

8

918

921

10.1107/S010827010100720X

0.71073

MoKα

0.071

0.049

null

0.136

null

0.984

null

has coordinates,has Fobs

Cuesta, Rafael; Arranz-Mascarós, Paloma; Low, John N.; Glidewell, Christopher [6-Amino-3-methyl-5-nitrosopyrimidine-2,4(1H,3H)-dionato]sodium dihydrate at 150K: coordination-polymer ladders linked by hydrogen bonds Acta Crystallographica Section C 57(8) (2001) 918-921

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012137.cif $ #-------------------------------------------------------------------...

2,012,138

12.7129

0.0002

11.2067

0.0001

11.6822

0.0002

90

null

109.578

0.001

90

null

1,568.14

0.04

140

2

140

2

null

4

P 1 21/c 1

-P 2ybc

14

- C15 H20 N4 O -

- C60 H80 N16 O4 -

4

1

GG1059

Lüning, Ulrich; Kühl, Christine; Bolte, Michael

N-tert-Butyl-N'-(5,7-dimethyl-1,8-naphthyridin-2-yl)urea

Acta Crystallographica Section C

2,001

57

8

989

990

10.1107/S0108270101008605

0.71073

MoKα

0.084

0.05

null

0.136

null

1.02

null

has coordinates,has Fobs

Lüning, Ulrich; Kühl, Christine; Bolte, Michael N-tert-Butyl-N'-(5,7-dimethyl-1,8-naphthyridin-2-yl)urea Acta Crystallographica Section C 57(8) (2001) 989-990

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012138.cif $ #-------------------------------------------------------------------...

2,012,139

21.4097

0.0003

6.1559

0.0006

10.0605

0.0013

90

null

90

null

90

null

1,325.9

0.2

150

2

150

2

null

4

P n a 21

P 2c -2n

33

N,N'-Bis[tris(hydroxymethyl)methyl]ethanediamide

- C10 H20 N2 O8 -

- C40 H80 N8 O32 -

4

1

GG1060

Ross, Jennifer N.; Low, John N.; Fernandes, Christiane; Wardell, James L.; Glidewell, Christopher

N,N'-Bis[tris(hydroxymethyl)methyl]ethanediamide: six O—H···O hydrogen bonds generate only a two-dimensional structure

Acta Crystallographica Section C

2,001

57

8

949

951

10.1107/S0108270101008940

0.71073

MoKα

0.0605

0.0471

null

0.1199

null

1.015

null

has coordinates,has disorder,has Fobs

Ross, Jennifer N.; Low, John N.; Fernandes, Christiane; Wardell, James L.; Glidewell, Christopher N,N'-Bis[tris(hydroxymethyl)methyl]ethanediamide: six O—H···O hydrogen bonds generate only a two-dimensional structure Acta Crystallographica Section C 57(8) (2001) 949-951

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012139.cif $ #-------------------------------------------------------------------...

2,012,140

9.7191

0.0003

11.3281

0.0004

17.5549

0.0007

78.697

0.0016

87.81

0.0015

75.772

0.002

1,837.05

0.11

150

2

150

2

null

5

P -1

-P 1

2

Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-bis(4-pyridyl)ethane (1/1)

- C48 H42 Fe N2 O2 -

- C96 H84 Fe2 N4 O4 -

2

1

GG1062

Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher

Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and dimeric 1:1 adducts with 1,2-bis(4-pyridyl)ethane and 1,2-diaminoethane

Acta Crystallographica Section C

2,001

57

8

914

917

10.1107/S010827010100837X

0.71073

MoKα

0.1134

0.051

null

0.1247

null

0.967

null

has coordinates,has Fobs

Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and dimeric 1:1 adducts with 1,2-bis(4-pyridyl)ethane and 1,2-diaminoethane Acta Crystallographica Section C 57(8) (2001) 914-917

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012140.cif $ #-------------------------------------------------------------------...

2,012,141

9.8551

0.0002

11.7183

0.0002

27.681

0.0005

82.3495

0.0008

84.4918

0.0008

73.4846

0.0008

3,031.88

0.1

150

2

150

2

null

5

P -1

-P 1

2

Ferrocene-1,1'-diylbis(diphenylmethanol)‒1,2-diaminoethane (1/1)

- C38 H38 Fe N2 O2 -

- C38 H37.744 Fe N2 O2 -

- C152 H150.976 Fe4 N8 O8 -

4

2

GG1062

Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher

Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and dimeric 1:1 adducts with 1,2-bis(4-pyridyl)ethane and 1,2-diaminoethane

Acta Crystallographica Section C

2,001

57

8

914

917

10.1107/S010827010100837X

0.71073

MoKα

0.1148

0.05

null

0.1234

null

0.984

null

has coordinates,has disorder,has Fobs

Zakaria, Choudhury M.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher Hydrogen-bonded adducts of ferrocene-1,1'-diylbis(diphenylmethanol): monomeric and dimeric 1:1 adducts with 1,2-bis(4-pyridyl)ethane and 1,2-diaminoethane Acta Crystallographica Section C 57(8) (2001) 914-917

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012141.cif $ #-------------------------------------------------------------------...

2,012,142

7.806

0.001

7.806

0.001

14.867

0.002

90

null

90

null

120

null

784.53

0.18

293

2

293

2

null

4

R -3 :H

-R 3

148

sodum cobaltinitrite

trisodium hexanitrocobaltate(III)

- Co N6 Na3 O12 -

- Co3 N18 Na9 O36 -

3

0.166667

IZ1013

Figgis, Brian N.; Sobolev, Alexandre N.

Na~3~Co(NO~2~)~6~ at 293 and 10K

Acta Crystallographica Section C

2,001

57

8

885

886

10.1107/S0108270101007995

0.71073

MoKα

0.0197

null

0.0552

null

1.102

null

has coordinates

Figgis, Brian N.; Sobolev, Alexandre N. Na~3~Co(NO~2~)~6~ at 293 and 10K Acta Crystallographica Section C 57(8) (2001) 885-886

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012142.cif $ #-------------------------------------------------------------------...

2,012,143

7.7724

0.0004

7.7724

0.0004

14.763

0.002

90

null

90

null

120

null

772.35

0.12

10.5

0.5

10.5

0.5

null

4

R -3 :H

-R 3

148

sodum cobaltinitrite

trisodium hexanitrocobaltate(III)

- Co N6 Na3 O12 -

- Co3 N18 Na9 O36 -

3

0.166667

IZ1013

Figgis, Brian N.; Sobolev, Alexandre N.

Na~3~Co(NO~2~)~6~ at 293 and 10K

Acta Crystallographica Section C

2,001

57

8

885

886

10.1107/S0108270101007995

0.71073

MoKα

0.0213

null

0.0614

null

1.071

null

has coordinates

Figgis, Brian N.; Sobolev, Alexandre N. Na~3~Co(NO~2~)~6~ at 293 and 10K Acta Crystallographica Section C 57(8) (2001) 885-886

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012143.cif $ #-------------------------------------------------------------------...

2,012,144

10.4122

0.0011

4.7567

0.0008

11.6778

0.0016

90

null

108.168

0.01

90

null

549.54

0.14

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

N,N'-Bis(methoxycarbonylmethyl)oxalamide

- C8 H12 N2 O6 -

- C16 H24 N4 O12 -

2

0.5

JZ1454

Armelin, Elaine; Urpí, Lourdes; Solans, Xavier; Puiggalí, Jordi

Dimethyl N,N'-oxalamidodiethanoate

Acta Crystallographica Section C

2,001

57

8

932

933

10.1107/S0108270101006965

1.54178

CuKα

0.0602

0.0565

null

0.1548

null

1.096

null

has coordinates,has Fobs

Armelin, Elaine; Urpí, Lourdes; Solans, Xavier; Puiggalí, Jordi Dimethyl N,N'-oxalamidodiethanoate Acta Crystallographica Section C 57(8) (2001) 932-933

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012144.cif $ #-------------------------------------------------------------------...

2,012,145

9.906

0.004

12.528

0.005

13.991

0.005

90

null

105.44

0.04

90

null

1,673.7

1.2

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

Dimethyl 2-[(2-Methoxycarbonyl-1-methoxycarbonylmethyl-4-pyrrolyl)methylene]- propanedioate

- C15 H17 N O8 -

- C60 H68 N4 O32 -

4

1

JZ1455

Lokaj, Jan; Kettmann, Viktor; Milata, Viktor; Hodul, Pavol; Kottaš, Peter; Petrov, Ognyan

Dimethyl 2-{[2-(methoxycarbonyl)-1-(methoxycarbonylmethyl)pyrrol-4-yl]methylene}propanedioate

Acta Crystallographica Section C

2,001

57

8

973

974

10.1107/S0108270101008204

0.71073

MoKα

0.0801

0.0585

null

0.1967

null

1.002

null

has coordinates,has Fobs

Lokaj, Jan; Kettmann, Viktor; Milata, Viktor; Hodul, Pavol; Kottaš, Peter; Petrov, Ognyan Dimethyl 2-{[2-(methoxycarbonyl)-1-(methoxycarbonylmethyl)pyrrol-4-yl]methylene}propanedioate Acta Crystallographica Section C 57(8) (2001) 973-974

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012145.cif $ #-------------------------------------------------------------------...

2,012,146

9.325

0.001

9.662

0.001

15.619

0.002

90

null

90

null

90

null

1,407.2

0.3

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

2-methoxy-3-[1(2-hydroxyethylamine)ethylidene]-2,3-dihydro-2,4-dioxo- 2λ^5^-benzo[e][1,2]oxaphosphinane

- C13 H16 N O5 P -

- C52 H64 N4 O20 P4 -

4

1

NA1518

Małecka, Magdalena; Budzisz, Elżbieta

Investigations on benz[1,2]oxaphosphinane derivatives

Acta Crystallographica Section C

2,001

57

8

929

931

10.1107/S0108270101006734

1.54178

CuKα

0.0853

0.0636

null

0.1574

null

1.225

null

has coordinates,has Fobs

Małecka, Magdalena; Budzisz, Elżbieta Investigations on benz[1,2]oxaphosphinane derivatives Acta Crystallographica Section C 57(8) (2001) 929-931

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012146.cif $ #-------------------------------------------------------------------...

2,012,147

11.071

0.001

16.19

0.002

8.49

0.001

90

null

90

null

90

null

1,521.7

0.3

293

2

293

2

null

5

P 21 21 21

P 2ac 2ab

19

6-methyl-2-methoxy-3-[1(2-hydroxyethylamine)ethylidene]-2,3-dihydro-2,4-dioxo- 2λ^5^-benzo[e][1,2]oxaphosphinane

- C14 H18 N O5 P -

- C56 H72 N4 O20 P4 -

4

1

NA1518

Małecka, Magdalena; Budzisz, Elżbieta

Investigations on benz[1,2]oxaphosphinane derivatives

Acta Crystallographica Section C

2,001

57

8

929

931

10.1107/S0108270101006734

1.54178

CuKα

0.041

0.0336

null

0.0965

null

1.023

null

has coordinates,has Fobs

Małecka, Magdalena; Budzisz, Elżbieta Investigations on benz[1,2]oxaphosphinane derivatives Acta Crystallographica Section C 57(8) (2001) 929-931

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012147.cif $ #-------------------------------------------------------------------...

2,012,148

7.114

0.002

7.38

0.002

10.849

0.004

96.68

0.02

97.49

0.02

100.54

0.02

549.4

0.3

293

2

293

2

null

4

P -1

-P 1

2

4-[(2-nitrophenyl)azo]phenol

- C12 H9 N3 O3 -

- C24 H18 N6 O6 -

2

1

NA1519

Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.

Differently coloured polymorphs of 4-[(2-nitrophenyl)azo]phenol

Acta Crystallographica Section C

2,001

57

8

961

964

10.1107/S0108270101007594

0.71073

MoKα

0.067

0.038

null

0.101

null

1.118

null

has coordinates,has Fobs

Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A. Differently coloured polymorphs of 4-[(2-nitrophenyl)azo]phenol Acta Crystallographica Section C 57(8) (2001) 961-964

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012148.cif $ #-------------------------------------------------------------------...

2,012,149

3.823

0.001

23.014

0.008

25.437

0.009

90

null

92.73

0.03

90

null

2,235.5

1.3

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

4-[(2-nitrophenyl)azo]phenol

- C12 H9 N3 O3 -

- C96 H72 N24 O24 -

8

2

NA1519

Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A.

Differently coloured polymorphs of 4-[(2-nitrophenyl)azo]phenol

Acta Crystallographica Section C

2,001

57

8

961

964

10.1107/S0108270101007594

0.71073

MoKα

0.195

0.066

null

0.124

null

0.98

null

has coordinates,has Fobs

Yatsenko, Alexandr V.; Paseshnichenko, Ksenia A. Differently coloured polymorphs of 4-[(2-nitrophenyl)azo]phenol Acta Crystallographica Section C 57(8) (2001) 961-964

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012149.cif $ #-------------------------------------------------------------------...

2,012,150

11.3148

0.0008

14.2488

0.0005

15.3512

0.0011

84.28

0.004

69.132

0.002

79.683

0.004

2,273.5

0.2

100

2

100

2

null

3

P -1

-P 1

2

- C50 H68 O6 -

- C100 H136 O12 -

2

1

NA1520

Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre

Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes

Acta Crystallographica Section C

2,001

57

8

978

981

10.1107/S010827010100823X

0.71073

MoKα

0.1069

0.0608

null

0.1579

null

1.016

null

has coordinates,has Fobs

Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes Acta Crystallographica Section C 57(8) (2001) 978-981

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012150.cif $ #-------------------------------------------------------------------...

2,012,151

10.6466

0.0005

11.0343

0.0007

15.1801

0.0007

90

null

105.842

0.003

90

null

1,715.59

0.16

100

2

100

2

null

3

P 1 21/n 1

-P 2yn

14

- C40 H48 O8 -

- C80 H96 O16 -

2

0.5

NA1520

Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre

Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes

Acta Crystallographica Section C

2,001

57

8

978

981

10.1107/S010827010100823X

0.71073

MoKα

0.0704

0.0446

null

0.1123

null

1.017

null

has coordinates,has Fobs

Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes Acta Crystallographica Section C 57(8) (2001) 978-981

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012151.cif $ #-------------------------------------------------------------------...

2,012,152

23.232

0.0015

9.0186

0.0003

19.6065

0.0012

90

null

108.819

0.002

90

null

3,888.4

0.4

100

2

100

2

null

3

P 1 21/c 1

-P 2ybc

14

- C44 H56 O8 -

- C176 H224 O32 -

4

1

NA1520

Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre

Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes

Acta Crystallographica Section C

2,001

57

8

978

981

10.1107/S010827010100823X

0.71073

MoKα

0.1171

0.0571

null

0.1444

null

1.014

null

has coordinates,has Fobs

Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes Acta Crystallographica Section C 57(8) (2001) 978-981

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012152.cif $ #-------------------------------------------------------------------...

2,012,153

8.6669

0.0006

13.7665

0.0011

16.8072

0.0009

113.671

0.004

94.723

0.004

97.119

0.003

1,803.1

0.2

100

2

100

2

null

3

P -1

-P 1

2

- C42 H50 O9 -

- C84 H100 O18 -

2

1

NA1520

Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre

Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes

Acta Crystallographica Section C

2,001

57

8

978

981

10.1107/S010827010100823X

0.71073

MoKα

0.0952

0.0546

null

0.1353

null

1.016

null

has coordinates,has Fobs

Masci, Bernardo; Saccheo, Stefano; Fonsi, Massimiliano; Varrone, Maurizio; Finelli, Marco; Nierlich, Martine; Thuéry, Pierre Methoxy-ether and crown-ether derivatives of tetrahomodioxa- and octahomotetraoxacalix[4]arenes Acta Crystallographica Section C 57(8) (2001) 978-981

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012153.cif $ #-------------------------------------------------------------------...

2,012,154

7.726

0.002

8.057

0.003

14.352

0.006

90

null

90

null

90

null

893.4

0.6

293

2

293

2

null

4

P 21 21 21

P 2ac 2ab

19

Diisopropylammonium hydrogen difluoroide

- C6 H17 F2 N -

- C24 H68 F8 N4 -

4

1

NA1527

Reiss, Guido J.

Diisopropylammonium hydrogen difluoride

Acta Crystallographica Section C

2,001

57

8

994

995

10.1107/S0108270101008836

0.71073

MoKα

0.04

0.0298

null

0.0709

null

1.011

null

has coordinates,has Fobs

Reiss, Guido J. Diisopropylammonium hydrogen difluoride Acta Crystallographica Section C 57(8) (2001) 994-995

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012154.cif $ #-------------------------------------------------------------------...

2,012,155

13.173

0.003

10.424

0.002

19.435

0.004

90

null

99.76

0.03

90

null

2,630.1

1

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

- C32 H16 Cr I N8 -

- C128 H64 Cr4 I4 N32 -

4

1

NA1528

Janczak, Jan; Idemori, Ynara Marina

Iodo(phthalocyaninato)chromium(III)

Acta Crystallographica Section C

2,001

57

8

924

925

10.1107/S0108270101009076

0.71073

MoKα

0.1448

0.0497

null

0.0485

null

0.959

null

has coordinates,has Fobs

Janczak, Jan; Idemori, Ynara Marina Iodo(phthalocyaninato)chromium(III) Acta Crystallographica Section C 57(8) (2001) 924-925

176,760

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $ #$Revision: 176760 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012155.cif $ #-------------------------------------------------------------------...

2,012,156

9.145

0.002

9.427

0.002

9.889

0.002

85.19

0.03

82.64

0.03

62.45

0.03

749.3

0.3

293

2

293

2

null

4

P -1

-P 1

2

2-(N,N-diphenylamino)benzoic acid

- C19 H15 N O2 -

- C38 H30 N2 O4 -

2

1

SK1456

Boużyk, Anna; Konitz, Antoni; Błażejowski, Jerzy

2-(N,N-Diphenylamino)benzoic acid

Acta Crystallographica Section C

2,001

57

8

985

986

10.1107/S0108270101008459

0.71073

MoKα

0.176

0.044

null

0.151

null

0.998

null

has coordinates,has Fobs

Boużyk, Anna; Konitz, Antoni; Błażejowski, Jerzy 2-(N,N-Diphenylamino)benzoic acid Acta Crystallographica Section C 57(8) (2001) 985-986

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012156.cif $ #-------------------------------------------------------------------...

2,012,157

6.266

0.001

7.775

0.001

14.53

0.001

76.475

0.004

87.682

0.004

84.684

0.004

685.15

0.15

293

null

293

null

2

P -1

-P 1

2

pentacene

- C22 H14 -

- C44 H28 -

2

1

SK1477

Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; Boer, Jan L. de; Palstra, Thomas T.M.

Polymorphism in pentacene

Acta Crystallographica Section C

2,001

57

8

939

941

10.1107/S010827010100703X

0.71073

MoKα

0.2265

0.0685

null

0.1785

null

0.943

null

has coordinates

Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; Boer, Jan L. de; Palstra, Thomas T.M. Polymorphism in pentacene Acta Crystallographica Section C 57(8) (2001) 939-941

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012157.cif $ #-------------------------------------------------------------------...

2,012,158

6.239

0.001

7.636

0.001

14.33

0.002

76.978

0.003

88.136

0.003

84.415

0.003

661.94

0.17

90

null

90

1

null

2

P -1

-P 1

2

- C22 H14 -

- C44 H28 -

2

1

Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; de Boer, Jan L.; Palstra, Thomas T. M.

Polymorphism in pentacene

Acta Crystallographica Section C

2,001

57

8

939

941

10.1107/S010827010100703X

null

has coordinates

Mattheus, Christine C.; Dros, Anne B.; Baas, Jacob; Meetsma, Auke; de Boer, Jan L.; Palstra, Thomas T. M. Polymorphism in pentacene Acta Crystallographica Section C 57(8) (2001) 939-941

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012158.cif $ #-------------------------------------------------------------------...

2,012,159

7.1647

0.0004

7.9572

0.0004

8.0489

0.0005

67.905

0.003

86.956

0.003

65.744

0.002

384.84

0.04

150

2

150

2

null

5

P -1

-P 1

2

2-Iodo-4-nitroaniline

- C6 H5 I N2 O2 -

- C12 H10 I2 N4 O4 -

2

1

SK1480

McWilliam, Susan A.; Skakle, Janet M.S.; Low, John N.; Wardell, James L.; Garden, Simon J.; Pinto, Angelo C.; Torres, Jose C.; Glidewell, Christopher

Triclinic and orthorhombic polymorphs of 2-iodo-4-nitroaniline: interplay of hydrogen bonds, nitro···I interactions and aromatic π–π-stacking interactions

Acta Crystallographica Section C

2,001

57

8

942

945

10.1107/S0108270101007053

0.71073

MoKα

0.0535

0.046

null

0.12

null

1.092

null

has coordinates,has Fobs

McWilliam, Susan A.; Skakle, Janet M.S.; Low, John N.; Wardell, James L.; Garden, Simon J.; Pinto, Angelo C.; Torres, Jose C.; Glidewell, Christopher Triclinic and orthorhombic polymorphs of 2-iodo-4-nitroaniline: interplay of hydrogen bonds, nitro···I interactions and aromatic π–π-stacking interactions Acta Crystallog...

301,798

2025-08-19

6:41:49

#------------------------------------------------------------------------------ #$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $ #$Revision: 301798 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/21/2012159.cif $ #-------------------------------------------------------------------...