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

2,011,661

29.456

0.006

15.44

0.003

8.19

0.0016

90

null

99.52

0.03

90

null

3,673.5

1.3

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Bis(4-nitrobenzyl)maleonitriledithioether

- C18 H12 N4 O4 S2 -

- C144 H96 N32 O32 S16 -

8

1

SK1375

Ren, Xiao-Ming; Xu, Yan; Hu, Chuan-Jiang; Meng, Qing-Jin; Lu, Chang-Sheng; Wang, Hua-Ting

2,3-Bis(4-nitrobenzylthio)maleonitrile

Acta Crystallographica Section C

2,000

56

12

1499

1500

10.1107/S010827010001283X

0.71073

MoKα

0.0663

0.0332

null

0.1004

null

1.012

null

has coordinates,has Fobs

Ren, Xiao-Ming; Xu, Yan; Hu, Chuan-Jiang; Meng, Qing-Jin; Lu, Chang-Sheng; Wang, Hua-Ting 2,3-Bis(4-nitrobenzylthio)maleonitrile Acta Crystallographica Section C 56(12) (2000) 1499-1500

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011661.cif $ #-------------------------------------------------------------------...

2,011,662

7.47

0.001

14.681

0.002

27.079

0.004

90

null

90

null

90

null

2,969.7

0.7

223

2

223

2

null

4

P 21 21 21

P 2ac 2ab

19

alpha-Onocerin

8(26),14(27)-Onoceradiene-3,21-diol

- C30.5 H50.5 Cl1.5 O2 -

- C122 H202 Cl6 O8 -

4

1

SK1405

Fröhlich, Roland; Pauli, Guido F.

α-Onocerin chloroform hemisolvate

Acta Crystallographica Section C

2,000

56

12

1476

1477

10.1107/S0108270100012403

1.54178

CuKα

0.127

0.076

null

0.228

null

0.991

null

has coordinates,has Fobs

Fröhlich, Roland; Pauli, Guido F. α-Onocerin chloroform hemisolvate Acta Crystallographica Section C 56(12) (2000) 1476-1477

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011662.cif $ #-------------------------------------------------------------------...

2,011,663

29.038

0.006

7.233

0.001

9.629

0.002

90

null

95.45

0.03

90

null

2,013.3

0.7

120

2

120

2

null

4

C 1 2/c 1

-C 2yc

15

glycyl-dl-leucine

dl-2-(2-amino-acetylamino)-4-metyhl-pentanoic acid

- C8 H16 N2 O3 -

- C64 H128 N16 O24 -

8

1

SK1407

Bombicz, Petra; Dittrich, Birger; Strumpel, Marianna; Nabein, Hans-Peter; Luger, Peter

Racemic dipeptide glycyl-DL-leucine at 120K

Acta Crystallographica Section C

2,000

56

12

1447

1449

10.1107/S0108270100011616

0.71073

MoKα

0.0447

0.0409

null

0.1148

null

1.073

null

has coordinates,has Fobs

Bombicz, Petra; Dittrich, Birger; Strumpel, Marianna; Nabein, Hans-Peter; Luger, Peter Racemic dipeptide glycyl-DL-leucine at 120K Acta Crystallographica Section C 56(12) (2000) 1447-1449

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011663.cif $ #-------------------------------------------------------------------...

2,011,664

24.7585

0.0004

11.446

0.0002

16.5815

0.0001

90

null

112.689

0.001

90

null

4,335.32

0.11

293

2

293

2

null

7

C 1 2/c 1

-C 2yc

15

Structure of hexakis(imidazole)nickel(II) bis(O,O'-disopropyl dithiophosphate)

- C30 H52 N12 Ni O4 P2 S4 -

- C120 H208 N48 Ni4 O16 P8 S16 -

4

0.5

SK1416

Hao, Qingli; Jian, Fangfang; Yang, Xujie; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun

Hexakis(1H-imidazole-κN^3^)nickel(II) bis[O,O'-diisopropyl dithiophosphate(1–)]

Acta Crystallographica Section C

2,000

56

12

1431

1432

10.1107/S0108270100012841

0.71073

MoKα

0.121

0.072

null

0.227

null

1.07

null

has coordinates,has Fobs

Hao, Qingli; Jian, Fangfang; Yang, Xujie; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun Hexakis(1H-imidazole-κN^3^)nickel(II) bis[O,O'-diisopropyl dithiophosphate(1–)] Acta Crystallographica Section C 56(12) (2000) 1431-1432

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011664.cif $ #-------------------------------------------------------------------...

2,011,665

23.6968

0.0015

7.651

0.0005

15.1664

0.001

90

null

92.36

0.001

90

null

2,747.4

0.3

298

2

298

2

null

5

C 1 2/c 1

-C 2yc

15

N-(2-Nitrophenylthio)saccharin

- C13 H8 N2 O5 S2 -

- C104 H64 N16 O40 S16 -

8

1

SK1418

Glidewell, Christopher; Low, John N.; Wardell, James L.

Hydrogen-bonded dimers in N-(2-nitrophenylthio)saccharin

Acta Crystallographica Section C

2,000

56

12

1462

1464

10.1107/S0108270100012415

0.71073

MoKα

0.053

0.033

null

0.081

null

0.921

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Wardell, James L. Hydrogen-bonded dimers in N-(2-nitrophenylthio)saccharin Acta Crystallographica Section C 56(12) (2000) 1462-1464

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011665.cif $ #-------------------------------------------------------------------...

2,011,666

8.2214

0.0004

11.4293

0.0005

14.3861

0.0006

90

null

90

null

90

null

1,351.79

0.1

298

2

298

2

null

5

P 21 21 21

P 2ac 2ab

19

2-Nitrophenyl-β-D-thiogalactopyranoside

- C12 H15 N O7 S -

- C48 H60 N4 O28 S4 -

4

1

SK1419

Glidewell, Christopher; Low, John N.; Wardell, James L.

Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: 2-nitrophenyl-β-D-thiogalactopyranoside

Acta Crystallographica Section C

2,000

56

12

1465

1467

10.1107/S0108270100012427

0.71073

MoKα

0.03

0.027

null

0.074

null

1.011

null

has coordinates,has Fobs

Glidewell, Christopher; Low, John N.; Wardell, James L. Conformational preferences and supramolecular aggregation in 2-nitrophenylthiolates: 2-nitrophenyl-β-D-thiogalactopyranoside Acta Crystallographica Section C 56(12) (2000) 1465-1467

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011666.cif $ #-------------------------------------------------------------------...

2,011,667

4.3048

0.001

18.108

0.003

13.3152

0.0017

90

null

95.847

0.013

90

null

1,032.5

0.3

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

2,4-dibromo-3-methoxy-6-nitrobenzaldehyde

- C8 H5 Br2 N O4 -

- C32 H20 Br8 N4 O16 -

4

1

SK1420

Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Serra, A.C.

2,4-Dibromo-3-methoxy-6-nitrobenzaldeyde: effect of substituents on ring geometry

Acta Crystallographica Section C

2,000

56

12

1501

1502

10.1107/S0108270100012853

0.71073

MoKα

0.113

0.035

null

0.099

null

0.981

null

has coordinates,has Fobs

Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.; Serra, A.C. 2,4-Dibromo-3-methoxy-6-nitrobenzaldeyde: effect of substituents on ring geometry Acta Crystallographica Section C 56(12) (2000) 1501-1502

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011667.cif $ #-------------------------------------------------------------------...

2,011,668

5.0186

0.0005

9.6408

0.0009

14.5082

0.0014

90

null

98.21

0.01

90

null

694.76

0.12

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

7-NI

7-Nitro-1H-indazole

- C7 H5 N3 O2 -

- C28 H20 N12 O8 -

4

1

SX1105

Sopková-de Oliveira Santos, Jana; Collot, Valerie; Rault, Sylvain

7-Nitro-1H-indazole, an inhibitor of nitric oxide synthase

Acta Crystallographica Section C

2,000

56

12

1503

1504

10.1107/S0108270100012956

0.71073

MoKα

0.058

0.046

null

0.135

null

1.056

null

has coordinates,has Fobs

Sopková-de Oliveira Santos, Jana; Collot, Valerie; Rault, Sylvain 7-Nitro-1H-indazole, an inhibitor of nitric oxide synthase Acta Crystallographica Section C 56(12) (2000) 1503-1504

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011668.cif $ #-------------------------------------------------------------------...

2,011,669

19.3044

0.0004

10.6009

0.0003

11.6549

0.0003

90

null

125.527

0.002

90

null

1,941.1

0.1

150

2

150

2

null

5

C 1 c 1

C -2yc

9

trans-4-[4-(Dimethylamino)phenyliminomethyl]-N-phenylpyridinium hexafluorophosphate

- C20 H20 F6 N3 P -

- C80 H80 F24 N12 P4 -

4

1

SX1113

Coe, Benjamin J.; Harris, James A.; Gelbrich, Thomas; Hursthouse, Michael B.

trans-4-[4-(Dimethylamino)phenyliminomethyl]-N-phenylpyridinium hexafluorophosphate

Acta Crystallographica Section C

2,000

56

12

1487

1489

10.1107/S0108270100012543

0.71073

MoKα

0.042

0.036

null

0.092

null

0.998

null

has coordinates,has Fobs

Coe, Benjamin J.; Harris, James A.; Gelbrich, Thomas; Hursthouse, Michael B. trans-4-[4-(Dimethylamino)phenyliminomethyl]-N-phenylpyridinium hexafluorophosphate Acta Crystallographica Section C 56(12) (2000) 1487-1489

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011669.cif $ #-------------------------------------------------------------------...

2,011,670

10.191

0.007

10.963

0.01

12.621

0.0011

102.23

0.06

114.58

0.03

100.64

0.06

1,192.7

1.6

293

2

293

2

null

3

P -1

-P 1

2

13,13a-Dihydro-9-methyl-13-methoxy-1-benzopyrano[4,3-i]- dinaphtho[2,1-c;1',2'-f]-2,8-dioxabicyclo[3,3,1]nonane

- C32 H24 O4 -

- C64 H48 O8 -

2

1

VJ1108

Sahana, Sirin; Bandyopadhyay, Chandrakanta; Chaudhuri, Siddhartha

13,13a-Dihydro-13-methoxy-9-methyl-1-benzopyrano[4,3-i]dinaphtho[2,1-c;1',2'-f]-2,8-dioxabicyclo[3.3.1]nonane

Acta Crystallographica Section C

2,000

56

12

1450

1451

10.1107/S010827010001180X

1.5418

CuKα

0.0614

0.0504

null

0.1514

null

1.039

null

has coordinates

Sahana, Sirin; Bandyopadhyay, Chandrakanta; Chaudhuri, Siddhartha 13,13a-Dihydro-13-methoxy-9-methyl-1-benzopyrano[4,3-i]dinaphtho[2,1-c;1',2'-f]-2,8-dioxabicyclo[3.3.1]nonane Acta Crystallographica Section C 56(12) (2000) 1450-1451

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011670.cif $ #-------------------------------------------------------------------...

2,011,671

19.2711

0.001

9.769

0.003

10.2592

0.001

90

0.01

103.666

0.013

90

0.01

1,876.7

0.6

293

2

293

2

null

5

C 1 2 1

C 2y

5

Ethyl 2-[N-(tert-butyloxycarbonyl)-L-alanylamino]-4-methyl-1,3-thiazole-5 -carboxylate

- C15 H23 N3 O5 S -

- C60 H92 N12 O20 S4 -

4

1

VJ1112

Singh, Umesh Prasad; Thomas, Mini; Seshadri, T.P.; Bhattacharya, Santanu

Ethyl 2-[N-(tert-butyloxycarbonyl)-L-alanylamino]-4-methyl-1,3-thiazole-5-carboxylate reveals a trans orientation of the preceding amide N—H with respect to the thiazole-ring sulfur

Acta Crystallographica Section C

2,000

56

12

1482

1483

10.1107/S0108270100012439

1.5418

CuKα

0.0405

0.0379

null

0.1088

null

1.035

null

has coordinates,has Fobs

Singh, Umesh Prasad; Thomas, Mini; Seshadri, T.P.; Bhattacharya, Santanu Ethyl 2-[N-(tert-butyloxycarbonyl)-L-alanylamino]-4-methyl-1,3-thiazole-5-carboxylate reveals a trans orientation of the preceding amide N—H with respect to the thiazole-ring sulfur Acta Crystallographica Sectio...

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011671.cif $ #-------------------------------------------------------------------...

2,011,672

7.609

0.003

9.63

0.002

12.858

0.002

110.14

0.01

94.8

0.02

96.83

0.02

870.4

0.4

293

2

293

2

null

5

P -1

-P 1

2

3-Chlorophenyl-N-phenylnitrone

N-(benzylidene)(3-chlorophenyl)N-oxide

- C20 H16 Cl N O3 -

- C40 H32 Cl2 N2 O6 -

2

1

VJ1113

Chandrasekar, S.; Panchanatheswaran, K.

N-(3-Chlorophenyl)-α-phenylnitrone: association with benzoic acid through hydrogen bonding

Acta Crystallographica Section C

2,000

56

12

1442

1443

10.1107/S0108270100011379

1.5418

CuKα

0.0638

0.0512

null

0.1457

0.1352

null

1.052

1.103

null

has coordinates

Chandrasekar, S.; Panchanatheswaran, K. N-(3-Chlorophenyl)-α-phenylnitrone: association with benzoic acid through hydrogen bonding Acta Crystallographica Section C 56(12) (2000) 1442-1443

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011672.cif $ #-------------------------------------------------------------------...

2,011,673

9.3105

0.0007

29.929

0.002

7.453

0.006

90

null

90.64

0.07

90

null

2,076.7

1.7

292

1

292

1

null

5

P 1 21/n 1

-P 2yn

14

n-hexylammonium dihydrogenarsenate

- C6 H18 As N O4 -

- C48 H144 As8 N8 O32 -

8

2

AV1051

Fábry, Jan; Kroupa, Jan; Císařová, Ivana

Phase transitions in n-alkylammonium dihydrogenphosphates and -arsenates and ferroelastic n-hexyl- and n-octylammonium dihydrogenarsenate

Acta Crystallographica Section C

2,001

57

1

22

25

10.1107/S0108270100013834

0.71073

MoKα

0.0969

0.036

null

0.0465

null

0.0465

null

1.89

2.41

1.89

null

has coordinates,has Fobs

Fábry, Jan; Kroupa, Jan; Císařová, Ivana Phase transitions in n-alkylammonium dihydrogenphosphates and -arsenates and ferroelastic n-hexyl- and n-octylammonium dihydrogenarsenate Acta Crystallographica Section C 57(1) (2001) 22-25

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011673.cif $ #-------------------------------------------------------------------...

2,011,674

9.307

0.001

34.936

0.004

7.488

0.001

90

null

90.58

0.01

90

null

2,434.6

0.5

292

1

292

1

null

5

P 1 21/n 1

-P 2yn

14

n-octylammonium dihydrogenarsenate

- C8 H22 As N O4 -

- C64 H176 As8 N8 O32 -

8

2

AV1051

Fábry, Jan; Kroupa, Jan; Císařová, Ivana

Phase transitions in n-alkylammonium dihydrogenphosphates and -arsenates and ferroelastic n-hexyl- and n-octylammonium dihydrogenarsenate

Acta Crystallographica Section C

2,001

57

1

22

25

10.1107/S0108270100013834

0.71073

MoKα

0.0827

0.0433

null

0.0695

null

0.0695

null

3.19

4

3.19

null

has coordinates,has Fobs

Fábry, Jan; Kroupa, Jan; Císařová, Ivana Phase transitions in n-alkylammonium dihydrogenphosphates and -arsenates and ferroelastic n-hexyl- and n-octylammonium dihydrogenarsenate Acta Crystallographica Section C 57(1) (2001) 22-25

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011674.cif $ #-------------------------------------------------------------------...

2,011,675

7.725

0.003

10.321

0.003

15.548

0.005

80.26

0.02

77.18

0.02

74.82

0.02

1,158.4

0.7

170

1

170

1

null

6

P -1

-P 1

2

(2-Chlorobenzyl)tris(pyridine-2-thiolato)-κ^2^N,S;κ^2^N,S;κS-tin(IV)

- C22 H18 Cl N3 S3 Sn -

- C44 H36 Cl2 N6 S6 Sn2 -

2

1

AV1054

Markus Schürmann; Friedo Huber; Renato Barbieri

(2-Chlorobenzyl)tris(2-pyridinethiolato)tin(IV)

Acta Crystallographica Section C

2,001

57

1

40

41

10.1107/S0108270100015146

0.71073

MoKα

0.046

0.033

null

0.073

null

0.936

null

has coordinates,has Fobs

Markus Schürmann; Friedo Huber; Renato Barbieri (2-Chlorobenzyl)tris(2-pyridinethiolato)tin(IV) Acta Crystallographica Section C 57(1) (2001) 40-41

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/2/01/16/2011675.cif $ #-------------------------------------------------------------------...

2,011,676

7.346

0.001

9.6957

0.0006

14.915

0.001

90

null

94.69

0.03

90

null

1,058.76

0.18

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

mercury(II) complex of benzothiazole

Catena-(2-methyl-benzo-1-thia-3-azolium-μ-dichloromercurate(II))

- C8 H7 Cl2 Hg N S -

- C32 H28 Cl8 Hg4 N4 S4 -

4

1

AV1065

Popović, Zora; Mrvoš-Sermek, Draginja; Soldin, Željka; Tralić-Kulenović, Vesna

catena-Poly[[(2-methyl-1,3-benzothiazole-N)mercury(II)]-di-μ-chloro]

Acta Crystallographica Section C

2,001

57

1

20

21

10.1107/S0108270100013846

0.71073

MoKα

0.0797

0.0475

null

0.1345

null

1.056

null

has coordinates

Popović, Zora; Mrvoš-Sermek, Draginja; Soldin, Željka; Tralić-Kulenović, Vesna catena-Poly[[(2-methyl-1,3-benzothiazole-N)mercury(II)]-di-μ-chloro] Acta Crystallographica Section C 57(1) (2001) 20-21

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/2/01/16/2011676.cif $ #-------------------------------------------------------------------...

2,011,677

18.1926

0.0002

18.1926

0.0002

8.4442

0.0001

90

null

90

null

90

null

2,794.78

0.05

150

2

150

2

null

7

P -4

81

- C21 H40 B7 Cl O Rh2 S -

- C84 H160 B28 Cl4 O4 Rh8 S4 -

4

1

BJ1000

Bould, Jonathan; Brownless, Annette; Kilner, Colin; Londesborough, Michael; Štíbr, Bohumil; Kennedy, John D.; Thornton-Pett, Mark

[μ-6,9-Cl-8-(OMe)-6,9-(η^5^-C~5~Me~5~)~2~-arachno-6,9,5-Rh~2~SB~7~H~7~]

Acta Crystallographica Section C

2,001

57

1

52

54

10.1107/S0108270100015432

0.71073

MoKα

0.0317

0.031

null

0.0799

null

1.143

null

has coordinates,has Fobs

Bould, Jonathan; Brownless, Annette; Kilner, Colin; Londesborough, Michael; Štíbr, Bohumil; Kennedy, John D.; Thornton-Pett, Mark [μ-6,9-Cl-8-(OMe)-6,9-(η^5^-C~5~Me~5~)~2~-arachno-6,9,5-Rh~2~SB~7~H~7~] Acta Crystallographica Section C 57(1) (2001) 52-54

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/2/01/16/2011677.cif $ #-------------------------------------------------------------------...

2,011,678

11.7493

0.0001

19.0809

0.0003

14.6006

0.0002

90

null

90

null

90

null

3,273.27

0.07

293

2

293

2

null

7

P b c n

-P 2n 2ab

60

- C24 H36 Cd N2 O4 P2 S4 -

- C96 H144 Cd4 N8 O16 P8 S16 -

4

0.5

BJ1016

Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun

Bis(O,O'-diisopropyl dithiophosphato-S,S')(1,10-phenanthroline-N,N')metal(II) complexes with cadmium(II) and iron(II)

Acta Crystallographica Section C

2,001

57

1

42

44

10.1107/S0108270100014256

0.71073

MoKα

0.071

0.054

null

0.168

null

1.07

null

has coordinates,has Fobs

Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun Bis(O,O'-diisopropyl dithiophosphato-S,S')(1,10-phenanthroline-N,N')metal(II) complexes with cadmium(II) and iron(II) Acta Crystallographica Section C 57(...

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/2/01/16/2011678.cif $ #-------------------------------------------------------------------...

2,011,679

11.5761

0.0002

18.8015

0.0001

14.7098

0.0002

90

null

90

null

90

null

3,201.56

0.07

293

2

293

2

null

7

P b c n

-P 2n 2ab

60

Bis(O,O'- diisopropyldithiophosphato-S,S')(1,10-phenanthroline)Iron(II) complex :[Fe{(iPr-dtp)~2~}(phen)]

- C24 H36 Fe N2 O4 P2 S4 -

- C96 H144 Fe4 N8 O16 P8 S16 -

4

0.5

BJ1016

Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun

Bis(O,O'-diisopropyl dithiophosphato-S,S')(1,10-phenanthroline-N,N')metal(II) complexes with cadmium(II) and iron(II)

Acta Crystallographica Section C

2,001

57

1

42

44

10.1107/S0108270100014256

0.71073

MoKα

0.093

0.074

null

0.127

null

0.97

null

has coordinates,has Fobs

Hao, Qingli; Yang, Xujie; Jian, Fangfang; Lu, Lude; Wang, Xin; Abdul Razak, Ibrahim; Chantrapromma, Suchada; Fun, Hoong-Kun Bis(O,O'-diisopropyl dithiophosphato-S,S')(1,10-phenanthroline-N,N')metal(II) complexes with cadmium(II) and iron(II) Acta Crystallographica Section C 57(...

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/2/01/16/2011679.cif $ #-------------------------------------------------------------------...

2,011,680

6.181

0.001

9.2

0.001

10.691

0.001

90

null

102.94

0.01

90

null

592.51

0.13

292

2

292

2

null

4

P 1 21 1

P 2yb

4

Sodium glucoheptonate dihydrate

Sodium D-glycero-D-gulo-heptonate dihydrate

- C7 H17 Na O10 -

- C14 H34 Na2 O20 -

2

1

BK1543

Park, Young Ja; Lee, Bo Hyung

Sodium α-glucoheptonate dihydrate

Acta Crystallographica Section C

2,001

57

1

12

13

10.1107/S010827010001355X

0.7107

MoKα

0.033

0.032

null

0.09

null

1.28

null

has coordinates,has Fobs

Park, Young Ja; Lee, Bo Hyung Sodium α-glucoheptonate dihydrate Acta Crystallographica Section C 57(1) (2001) 12-13

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/2/01/16/2011680.cif $ #-------------------------------------------------------------------...

2,011,681

7.113

0.005

9.339

0.007

14.526

0.01

79.14

0.01

85.37

0.01

86.49

0.01

943.5

1.2

298

2

298

2

null

6

P -1

-P 1

2

4-(3'-bromo-4' -hydroxyphenyl)-amino-6,7 -dimethoxyquinazoline

- C17 H19 Br Cl N3 O4 -

- C34 H38 Br2 Cl2 N6 O8 -

2

1

BK1562

Ghosh, Sutapa; Jennisen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M.

4-[(3-Bromo-4-hydroxyphenyl)amino]-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate and 4-[(3-hydroxyphenyl)amino]-6,7-dimethoxy-1-quinazolinium chloride

Acta Crystallographica Section C

2,001

57

1

76

78

10.1107/S0108270100013561

0.71073

MoKα

0.0514

0.037

null

0.1

null

0.99

null

has coordinates,has disorder,has Fobs

Ghosh, Sutapa; Jennisen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M. 4-[(3-Bromo-4-hydroxyphenyl)amino]-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate and 4-[(3-hydroxyphenyl)amino]-6,7-dimethoxy-1-quinazolinium chloride Acta Crystallographica Section C 57(1) (2001) 76-78

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011681.cif $ #-------------------------------------------------------------------...

2,011,682

9.4851

0.0007

10.3688

0.0008

15.9106

0.0012

90.954

0.001

99.108

0.001

95.438

0.001

1,537.3

0.2

297

2

297

2

null

5

P -1

-P 1

2

4-(3'-Hydroxyphenyl)-amino-6,7 -dimethoxyquinazoline

- C16 H16 Cl N3 O3 -

- C64 H64 Cl4 N12 O12 -

4

2

BK1562

Ghosh, Sutapa; Jennisen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M.

4-[(3-Bromo-4-hydroxyphenyl)amino]-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate and 4-[(3-hydroxyphenyl)amino]-6,7-dimethoxy-1-quinazolinium chloride

Acta Crystallographica Section C

2,001

57

1

76

78

10.1107/S0108270100013561

0.71073

MoKα

0.1061

0.043

null

0.091

null

0.9

null

has coordinates,has Fobs

Ghosh, Sutapa; Jennisen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M. 4-[(3-Bromo-4-hydroxyphenyl)amino]-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate and 4-[(3-hydroxyphenyl)amino]-6,7-dimethoxy-1-quinazolinium chloride Acta Crystallographica Section C 57(1) (2001) 76-78

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011682.cif $ #-------------------------------------------------------------------...

2,011,683

16.113

0.004

19.079

0.005

17.227

0.004

90

null

92.873

0.005

90

null

5,289

2

120

2

120

2

null

6

P 1 21/n 1

-P 2yn

14

- C57 H49 Fe N9 O15 S3 -

- C228 H196 Fe4 N36 O60 S12 -

4

1

Deng, Robert M. K.; Simon, Sabitha; Dillon, Keith B.; Goeta, Andres E.

A saccharinate-iron(II) complex with a free saccharin molecule present: [Fe(phen)~3~]sac~2~.sacH.6H~2~O

Acta Crystallographica, Section C

2,001

57

04

06

10.1107/S0108270100013093

null

has coordinates

Deng, Robert M. K.; Simon, Sabitha; Dillon, Keith B.; Goeta, Andres E. A saccharinate-iron(II) complex with a free saccharin molecule present: [Fe(phen)~3~]sac~2~.sacH.6H~2~O Acta Crystallographica, Section C 57 (2001) 04-06

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011683.cif $ #-------------------------------------------------------------------...

2,011,684

8.0516

0.0012

8.1214

0.0012

9.9064

0.0015

88.427

0.004

86.171

0.004

67.868

0.003

598.71

0.16

180

2

180

2

null

4

P -1

-P 1

2

2,4,6-Trimethoxy-3-(1-chlorovinyl)benzaldehyde

- C12 H13 Cl O4 -

- C24 H26 Cl2 O8 -

2

1

BM1428

Panda, Atulya K.; Parthasarathy, M. R.; Errington, William

3-(1-Chlorovinyl)-2,4,6-trimethoxybenzaldehyde

Acta Crystallographica Section C

2,001

57

1

102

103

10.1107/S0108270100014700

0.71073

MoKα

0.0508

0.0464

null

0.1369

null

1.102

null

has coordinates

Panda, Atulya K.; Parthasarathy, M. R.; Errington, William 3-(1-Chlorovinyl)-2,4,6-trimethoxybenzaldehyde Acta Crystallographica Section C 57(1) (2001) 102-103

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011684.cif $ #-------------------------------------------------------------------...

2,011,685

4.8355

0.0008

11.583

0.002

17.304

0.003

90

null

90

null

90

null

969.2

0.3

293

2

293

2

null

3

P 21 21 21

P 2ac 2ab

19

Phenazine-2,3-diamine

- C12 H10 N4 -

- C48 H40 N16 -

4

1

BM1429

Doyle, Robert P.; Kruger, Paul E.; Mackie, Philip R.; Nieuwenhuyzen, Mark.

Phenazine-2,3-diamine

Acta Crystallographica Section C

2,001

57

1

104

105

10.1107/S0108270100014712

0.71073

MoKα

0.05

0.041

null

0.1148

null

1.046

null

has coordinates

Doyle, Robert P.; Kruger, Paul E.; Mackie, Philip R.; Nieuwenhuyzen, Mark. Phenazine-2,3-diamine Acta Crystallographica Section C 57(1) (2001) 104-105

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011685.cif $ #-------------------------------------------------------------------...

2,011,686

9.2035

0.0002

15.9788

0.0005

13.2013

0.0003

90

null

99.67

0.002

90

null

1,913.81

0.09

150

2

150

2

null

6

P 1 21/n 1

-P 2yn

14

5,6:8,9-bis-μH-4-carbonyl-4-hydrido-4-bis(trimethylphosphine)-4-irido- arachno-nonaborane(12)

- C7 H31 B8 Ir O P2 -

- C28 H124 B32 Ir4 O4 P8 -

4

1

BR1295

Bould, Jonathan; Kennedy, John D.; Thornton-Pett, Mark; Barton, Lawrence; Rath, Nigam P.

Two iridanonaborane compounds

Acta Crystallographica Section C

2,001

57

1

49

51

10.1107/S0108270100015213

0.71073

MoKα

0.042

0.041

null

0.105

null

1.097

null

has coordinates,has Fobs

Bould, Jonathan; Kennedy, John D.; Thornton-Pett, Mark; Barton, Lawrence; Rath, Nigam P. Two iridanonaborane compounds Acta Crystallographica Section C 57(1) (2001) 49-51

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/2/01/16/2011686.cif $ #-------------------------------------------------------------------...

2,011,687

9.2655

0.0001

12.1784

0.0001

16.8668

0.0001

90

null

94.702

0.001

90

null

1,896.83

0.03

223

2

223

2

null

7

P 1 21/n 1

-P 2yn

14

2,5:6,9:8,9-tri-μH-2-carbonyl-4-chloro-2-bis(trimethylphosphine)-2-irido- nido-nonaborane(11)

- C7 H28 B8 Cl Ir O P2 -

- C28 H112 B32 Cl4 Ir4 O4 P8 -

4

1

BR1295

Bould, Jonathan; Kennedy, John D.; Thornton-Pett, Mark; Barton, Lawrence; Rath, Nigam P.

Two iridanonaborane compounds

Acta Crystallographica Section C

2,001

57

1

49

51

10.1107/S0108270100015213

0.71073

MoKα

0.021

0.017

null

0.041

null

1.167

null

has coordinates,has Fobs

Bould, Jonathan; Kennedy, John D.; Thornton-Pett, Mark; Barton, Lawrence; Rath, Nigam P. Two iridanonaborane compounds Acta Crystallographica Section C 57(1) (2001) 49-51

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/2/01/16/2011687.cif $ #-------------------------------------------------------------------...

2,011,688

20.013

0.006

13.456

0.003

11.424

0.003

90

null

90

null

90

null

3,076.4

1.4

295

2

295

2

null

5

P b c a

-P 2ac 2ab

61

6-Dimethylamino-5-nitropyrimidin-4-yl diethyldithiocarbamate

- C11 H17 N5 O2 S2 -

- C88 H136 N40 O16 S16 -

8

1

BR1303

Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik

Metabolic pathways of dithiocarbamates from laboratory powder diffraction data

Acta Crystallographica Section C

2,001

57

1

72

75

10.1107/S0108270100013457

1.54059

CuKα

null

3.22

null

has coordinates

Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik Metabolic pathways of dithiocarbamates from laboratory powder diffraction data Acta Crystallographica Section C 57(1) (2001) 72-75

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011688.cif $ #-------------------------------------------------------------------...

2,011,689

7.354

0.003

9.098

0.004

21.738

0.008

90

null

97.33

0.02

90

null

1,442.5

1

295

2

295

2

null

5

P 1 21/c 1

-P 2ybc

14

6-Methylamino-5-nitropyrimidin-4-yl diethyldithiocarbamate

- C10 H15 N5 O2 S2 -

- C40 H60 N20 O8 S8 -

4

1

BR1303

Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik

Metabolic pathways of dithiocarbamates from laboratory powder diffraction data

Acta Crystallographica Section C

2,001

57

1

72

75

10.1107/S0108270100013457

1.54059

CuKα

null

2.94

null

has coordinates

Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik Metabolic pathways of dithiocarbamates from laboratory powder diffraction data Acta Crystallographica Section C 57(1) (2001) 72-75

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011689.cif $ #-------------------------------------------------------------------...

2,011,690

10.271

0.003

6.836

0.0002

19.642

0.002

90

null

90

null

90

null

1,379.1

0.4

295

2

295

2

null

5

P n a 21

P 2c -2n

33

4-Diethylamino-6-methylamino-5-nitropyrimidinium chloride monohydrate

- C9 H18 Cl N5 O3 -

- C36 H72 Cl4 N20 O12 -

4

1

BR1303

Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik

Metabolic pathways of dithiocarbamates from laboratory powder diffraction data

Acta Crystallographica Section C

2,001

57

1

72

75

10.1107/S0108270100013457

1.54059

CuKα

null

2.86

null

has coordinates

Chernyshev, Vladimir V.; Paseshnichenko, Ksenia A.; Makarov, Vadim A.; Sonneveld, Eduard J.; Schenk, Hendrik Metabolic pathways of dithiocarbamates from laboratory powder diffraction data Acta Crystallographica Section C 57(1) (2001) 72-75

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011690.cif $ #-------------------------------------------------------------------...

2,011,691

9.276

0.0003

9.276

0.0003

22.464

0.0008

90

null

90

null

120

null

1,673.9

null

298

null

298

null

4

R -3 c :H

-R 3 2"c

167

- As3 Na2.88 O12 Sc2 -

- As3 Na2.906 O12 Sc2 -

- As18 Na17.436 O72 Sc12 -

6

0.166667

Harrison, William T. A.; Phillips, Mark L. F.

Sodium scandium arsenate, Na~3~Sc~2~(AsO~4~)~3~

Acta Crystallographica, Section C

2,001

57

02

03

10.1107/S010827010001372X

null

has coordinates

Harrison, William T. A.; Phillips, Mark L. F. Sodium scandium arsenate, Na~3~Sc~2~(AsO~4~)~3~ Acta Crystallographica, Section C 57 (2001) 02-03

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/2/01/16/2011691.cif $ #-------------------------------------------------------------------...

2,011,692

10.518

0.003

15.18

0.008

17.618

0.006

90

null

98.85

0.02

90

null

2,779.5

1.9

295

null

7

C 1 c 1

C -2yc

9

- C23 H30 Br2 N4 Ni O4 Zn -

- C92 H120 Br8 N16 Ni4 O16 Zn4 -

4

1

DA1133

Arıcı, Cengiz; Svoboda, Ingrid; Sarı, Musa; Atakol, Orhan; Fuess, Hartmut

{Bis(N,N-dimethylformamide)[μ-N,N'-bis(salicylidene)-1,3-propanediaminato]nickel(II)}dibromozinc(II)

Acta Crystallographica Section C

2,001

57

1

31

32

10.1107/S0108270100014487

0.71073

MoKα

null

0.039

null

0.108

null

1.03

null

has coordinates,has Fobs

Arıcı, Cengiz; Svoboda, Ingrid; Sarı, Musa; Atakol, Orhan; Fuess, Hartmut {Bis(N,N-dimethylformamide)[μ-N,N'-bis(salicylidene)-1,3-propanediaminato]nickel(II)}dibromozinc(II) Acta Crystallographica Section C 57(1) (2001) 31-32

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/2/01/16/2011692.cif $ #-------------------------------------------------------------------...

2,011,693

9.3677

0.001

21.991

0.004

9.4564

0.0011

90

null

115.827

0.009

90

null

1,753.5

0.4

293

2

null

4

P 1 21 1

P 2yb

4

- C33 H48 O12 S2 -

- C66 H96 O24 S4 -

2

1

DA1143

Harper, James K.; Dalley, N. Kent; Mulgrew, Anna E.; West, F. G.; Grant, David M.

10-Deacetyl baccatin III dimethyl sulfoxide disolvate

Acta Crystallographica Section C

2,001

57

1

64

65

10.1107/S0108270100011781

0.71073

MoKα

null

0.0556

null

0.136

null

1.084

null

has coordinates,has disorder,has Fobs

Harper, James K.; Dalley, N. Kent; Mulgrew, Anna E.; West, F. G.; Grant, David M. 10-Deacetyl baccatin III dimethyl sulfoxide disolvate Acta Crystallographica Section C 57(1) (2001) 64-65

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011693.cif $ #-------------------------------------------------------------------...

2,011,694

10.371

0.002

7.102

0.0014

20.446

0.004

90

null

94.07

0.03

90

null

1,502.1

0.5

293

2

293

2

null

6

P 1 21 1

P 2yb

4

Catena-poly[[diaqua(phenanthroline-N,N') manganese(II)-μu-(thiosulfato-O:S)]

- C12 H12 Mn N2 O5 S2 -

- C12 H8 Mn N2 O5 S2 -

- C48 H32 Mn4 N8 O20 S8 -

4

2

DA1146

Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro

catena-Poly[[diaqua(1,10-phenanthroline-N,N')manganese(II)]-μ-(thiosulfato-O:S)] and bis(2,2'-bipyridyl-N,N')(tetrathionato-O,O')manganese(II)

Acta Crystallographica Section C

2,001

57

1

14

17

10.1107/S0108270100013585

0.71073

MoKα

0.067

0.062

null

0.193

null

1.188

null

has coordinates,has Fobs

Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro catena-Poly[[diaqua(1,10-phenanthroline-N,N')manganese(II)]-μ-(thiosulfato-O:S)] and bis(2,2'-bipyridyl-N,N')(tetrathionato-O,O')manganese(II) Acta Crystallographica Section C 57(1) (2001) 14...

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/2/01/16/2011694.cif $ #-------------------------------------------------------------------...

2,011,695

15.33

0.003

9.889

0.002

16.061

0.003

90

null

90

null

90

null

2,434.8

0.8

293

2

293

2

null

6

P b c n

-P 2n 2ab

60

Bis(2,2'-bipyridyl-N,N') manganese(II) tetrathionate O,O'

- C20 H16 Mn N4 O6 S4 -

- C80 H64 Mn4 N16 O24 S16 -

4

0.5

DA1146

Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro

catena-Poly[[diaqua(1,10-phenanthroline-N,N')manganese(II)]-μ-(thiosulfato-O:S)] and bis(2,2'-bipyridyl-N,N')(tetrathionato-O,O')manganese(II)

Acta Crystallographica Section C

2,001

57

1

14

17

10.1107/S0108270100013585

0.71073

MoKα

0.145

0.052

null

0.183

null

1.014

null

has coordinates

Freire, Eleonora; Baggio, Sergio; Baggio, Ricardo; Mombrú, Alvaro catena-Poly[[diaqua(1,10-phenanthroline-N,N')manganese(II)]-μ-(thiosulfato-O:S)] and bis(2,2'-bipyridyl-N,N')(tetrathionato-O,O')manganese(II) Acta Crystallographica Section C 57(1) (2001) 14...

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011695.cif $ #-------------------------------------------------------------------...

2,011,696

12.047

0.002

7.808

0.002

9.718

0.001

90

null

108.71

0.01

90

null

865.8

0.3

293

2

293

2

null

5

P 1 21 1

P 2yb

4

N-phenylmaleimide adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene

2-phenyl-2,3,3a,4,5,5a,6,7,8,9,9a,9b-dodecahydro-1H-benz[e]isoindole-6-spiro- 2'-[1,3]oxathiolane-1,3-dione

- C20 H21 N O3 S -

- C40 H42 N2 O6 S2 -

2

1

DA1148

Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji

Some Diels–Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene

Acta Crystallographica Section C

2,001

57

1

82

85

10.1107/S0108270100013597

1.54178

CuKα

0.051

0.049

null

0.125

null

1.15

null

has coordinates,has Fobs

Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji Some Diels–Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene Acta Crystallographica Section C 57(1) (2001) 82-85

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011696.cif $ #-------------------------------------------------------------------...

2,011,697

13.258

0.002

7.3897

0.0017

14.2874

0.0013

90

null

105.944

0.009

90

null

1,345.9

0.4

170

2

170

2

null

5

P 1 21/c 1

-P 2ybc

14

N-Methyl-1,3,4-triazoline-2,5-dione adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene

2-methyl-5,7,8,9,10,10a-hexahydro-1H-1,2,4-triazolo[1,2-a]cinnoline-7-spiro- 2'-[1,3]oxathiolane-1,3-dione

- C13 H17 N3 O3 S -

- C52 H68 N12 O12 S4 -

4

1

DA1148

Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji

Some Diels–Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene

Acta Crystallographica Section C

2,001

57

1

82

85

10.1107/S0108270100013597

0.71069

MoKα

0.113

0.042

null

0.13

null

1

null

has coordinates,has Fobs

Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji Some Diels–Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene Acta Crystallographica Section C 57(1) (2001) 82-85

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011697.cif $ #-------------------------------------------------------------------...

2,011,698

6.812

0.003

10.494

0.007

11.023

0.005

96.014

0.007

90.97

0.01

90.21

0.02

783.5

0.7

293

2

293

2

null

4

P -1

-P 1

2

Dimethylacetylene dicarboxylate adduct of 1-oxa-4-thia-6-vinyl-spiro[4.5]dec-6-ene

dimethyl 1,2,3,4,4a,7-hexahydronaphthalene-1-spiro-2'-[1,3]oxathiolane-5,6-dicarboxylate

- C16 H20 O5 S -

- C32 H40 O10 S2 -

2

1

DA1148

Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji

Some Diels–Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene

Acta Crystallographica Section C

2,001

57

1

82

85

10.1107/S0108270100013597

1.54178

CuKα

0.067

0.054

null

0.17

null

1.06

null

has coordinates,has Fobs

Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji Some Diels–Alder adducts of 6-vinyl-1-oxa-4-thiaspiro[4.5]dec-6-ene Acta Crystallographica Section C 57(1) (2001) 82-85

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011698.cif $ #-------------------------------------------------------------------...

2,011,699

10.369

0.002

20.791

0.003

8.071

0.003

90

null

90

null

90

null

1,740

0.8

170

2

170

2

null

4

P n a 21

P 2c -2n

33

1-Oxa-4-thiaspiro[4.5]decane

ethyl 6-benzylidene-1-oxa-4-thiaspiro[4.5]decane-7-acetate

- C19 H24 O3 S -

- C76 H96 O12 S4 -

4

1

DA1149

Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji

Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols

Acta Crystallographica Section C

2,001

57

1

79

81

10.1107/S0108270100013603

0.71069

MoKα

0.129

0.044

null

0.14

null

1.01

null

has coordinates,has disorder,has Fobs

Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols Acta Crystallographica Section C 57(1) (2001) 79-81

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/16/2011699.cif $ #-------------------------------------------------------------------...

2,011,700

7.243

0.002

11.541

0.001

22.18

0.005

90

null

94.09

0.02

90

null

1,849.3

0.7

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

1-Oxa-4-thiaspiro[4.5]decane

2-(6-ethylidene-1-oxa-4-thiaspiro[4.5]decan-7-yl)ethyl 4-bromobenzoate

- C19 H23 Br O3 S -

- C76 H92 Br4 O12 S4 -

4

1

DA1149

Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji

Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols

Acta Crystallographica Section C

2,001

57

1

79

81

10.1107/S0108270100013603

1.54178

CuKα

0.091

0.054

null

0.164

null

1.04

null

has coordinates,has Fobs

Parvez, Masood; Yadav, Veejendra K.; Senthil, Govindaraji Johnson orthoester Claisen rearrangement products of some (1-oxa-4-thiaspiro[4.5]dec-6-en-6-yl)alkanols Acta Crystallographica Section C 57(1) (2001) 79-81

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011700.cif $ #-------------------------------------------------------------------...

2,011,701

7.375

0.002

20.065

0.003

9.8088

0.0009

90

null

91.717

0.007

90

null

1,450.8

0.5

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

trans-dinitro[2-hydroxo-4-methyl-5,8,12-triazadodec-2-ene-4-imine] cobalt(III)

- C10 H20 Co N5 O5 -

- C40 H80 Co4 N20 O20 -

4

1

DA1150

Chun, Hyungphil; Bernal, Ivan

Conformational isomers of neutral trans-dinitrocobalt(III) complexes

Acta Crystallographica Section C

2,001

57

1

33

35

10.1107/S0108270100014463

0.71073

MoKα

0.0514

0.026

null

0.0697

null

0.0643

null

1.014

null

1.122

null

has coordinates,has Fobs

Chun, Hyungphil; Bernal, Ivan Conformational isomers of neutral trans-dinitrocobalt(III) complexes Acta Crystallographica Section C 57(1) (2001) 33-35

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011701.cif $ #-------------------------------------------------------------------...

2,011,702

7.923

0.003

13.105

0.001

14.0273

0.0013

90

null

91.908

0.01

90

null

1,455.7

0.6

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

trans-dinitro[2-hydroxo-4-methyl-5,8,12-triazadodec-2-ene-4-imine] cobalt(III)

- C10 H20 Co N5 O5 -

- C40 H80 Co4 N20 O20 -

4

1

DA1150

Chun, Hyungphil; Bernal, Ivan

Conformational isomers of neutral trans-dinitrocobalt(III) complexes

Acta Crystallographica Section C

2,001

57

1

33

35

10.1107/S0108270100014463

0.71073

MoKα

0.0501

0.0323

null

0.1093

null

0.1048

null

1.142

null

1.266

null

has coordinates,has Fobs

Chun, Hyungphil; Bernal, Ivan Conformational isomers of neutral trans-dinitrocobalt(III) complexes Acta Crystallographica Section C 57(1) (2001) 33-35

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011702.cif $ #-------------------------------------------------------------------...

2,011,703

8.9499

0.0009

14.5

0.002

7.7348

0.0011

90

null

101.63

0.01

90

null

983.2

0.2

220

2

220

2

null

5

P 1 21/c 1

-P 2ybc

14

- C12 H24 Cl2 Cu S6 -

- C24 H48 Cl4 Cu2 S12 -

2

0.5

DA1153

Blake, Alexander J.; Lippolis, Vito; Parsons, Simon; Schröder, Martin

catena-Poly[[trans-dichlorocopper(II)]-μ-1,4,7,10,13,16-hexathiacyclooctadecane-S^1^:S^10^]

Acta Crystallographica Section C

2,001

57

1

36

37

10.1107/S0108270100014475

1.5418

CuKα

0.0492

0.0397

null

0.107

0.0981

null

1.03

1.06

null

has coordinates

Blake, Alexander J.; Lippolis, Vito; Parsons, Simon; Schröder, Martin catena-Poly[[trans-dichlorocopper(II)]-μ-1,4,7,10,13,16-hexathiacyclooctadecane-S^1^:S^10^] Acta Crystallographica Section C 57(1) (2001) 36-37

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/2/01/17/2011703.cif $ #-------------------------------------------------------------------...

2,011,704

8.0595

0.0007

3.8631

0.0002

11.812

0.001

90

null

90.16

0.008

90

null

367.76

0.05

293

null

4

P 1 c 1

P -2yc

7

p-Formamidebenzoic acid

- C8 H7 N O3 -

- C16 H14 N2 O6 -

2

1

DA1154

Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet

p-Formamidobenzoic acid

Acta Crystallographica Section C

2,001

57

1

86

87

10.1107/S0108270100013615

1.54184

CuKα

0.046

null

0.129

null

0.129

null

1.134

null

1.134

null

has coordinates,has Fobs

Novoa de Armas, Héctor; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.; Xuárez Marill, Lisbet p-Formamidobenzoic acid Acta Crystallographica Section C 57(1) (2001) 86-87

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011704.cif $ #-------------------------------------------------------------------...

2,011,705

11.088

0.002

6.884

0.001

21.976

0.004

90

null

90

null

90

null

1,677.4

0.5

293

2

150

null

4

P b c a

-P 2ac 2ab

61

1-phenyl-4-nitroimidazole

- C9 H7 N3 O2 -

- C72 H56 N24 O16 -

8

1

DE1151

Kubicki, Maciej; Borowiak, Teresa; Suwiński, Jerzy; Wagner, Paweł

Two 1-substituted 4-nitroimidazoles

Acta Crystallographica Section C

2,001

57

1

106

108

10.1107/S0108270100014852

0.71073

MoKα

0.0504

0.0349

null

0.0957

null

1.079

null

has coordinates,has Fobs

Kubicki, Maciej; Borowiak, Teresa; Suwiński, Jerzy; Wagner, Paweł Two 1-substituted 4-nitroimidazoles Acta Crystallographica Section C 57(1) (2001) 106-108

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011705.cif $ #-------------------------------------------------------------------...

2,011,706

14.143

0.003

3.888

0.001

20.66

0.004

90

null

94.92

0.03

90

null

1,131.9

0.4

293

2

301

null

4

P 1 21/c 1

-P 2ybc

14

1-(1-phenyl-4-imidazolyl)-4-nitroimidazole

- C12 H9 N5 O2 -

- C48 H36 N20 O8 -

4

1

DE1151

Kubicki, Maciej; Borowiak, Teresa; Suwiński, Jerzy; Wagner, Paweł

Two 1-substituted 4-nitroimidazoles

Acta Crystallographica Section C

2,001

57

1

106

108

10.1107/S0108270100014852

0.71073

MoKα

0.1627

0.0456

null

0.1047

null

0.781

null

has coordinates,has Fobs

Kubicki, Maciej; Borowiak, Teresa; Suwiński, Jerzy; Wagner, Paweł Two 1-substituted 4-nitroimidazoles Acta Crystallographica Section C 57(1) (2001) 106-108

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011706.cif $ #-------------------------------------------------------------------...

2,011,707

9.026

0.001

12.623

0.002

10.683

0.001

90

null

113.9

0.01

90

null

1,112.8

0.3

298

2

298

2

null

6

P 1 21/n 1

-P 2yn

14

Bis{2-[bis(2-aminoethyl)amino]ethanol}-nickel(II) perchlorate

- C12 H34 Cl2 N6 Ni O10 -

- C24 H68 Cl4 N12 Ni2 O20 -

2

0.5

DE1158

Xia, Jiang; Sun, Wei-Yin; Xu, Yan; Yu, Kai-Bei; Tang, Wen-xia

Hydrogen bonds in the framework of bis{2-[bis(2-aminoethyl)amino]ethanol}nickel(II) diperchlorate

Acta Crystallographica Section C

2,001

57

1

38

39

10.1107/S0108270100014682

0.71073

MoKα

0.0454

0.0367

null

0.1052

null

1.064

null

has coordinates,has disorder,has Fobs

Xia, Jiang; Sun, Wei-Yin; Xu, Yan; Yu, Kai-Bei; Tang, Wen-xia Hydrogen bonds in the framework of bis{2-[bis(2-aminoethyl)amino]ethanol}nickel(II) diperchlorate Acta Crystallographica Section C 57(1) (2001) 38-39

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/2/01/17/2011707.cif $ #-------------------------------------------------------------------...

2,011,708

8.169

0.016

12.841

0.003

14.772

0.003

72.6

0.03

75.54

0.03

72.64

0.03

1,389

3

293

2

293

2

null

4

P -1

-P 1

2

3-Acetyl-1,2,6,7,12,12b-hexahydroindolo[2,3-a]quinolizin-2-one.

- C17 H16 N2 O2 -

- C68 H64 N8 O8 -

4

2

FR1299

Varma, Ashok K.; Nangia, Ashwini; Desiraju, Gautam R.; Giri, Venkatachalam S.; Jaisankar, Parasuraman

Hydrogen bonding in two tetracyclic indole alkaloids

Acta Crystallographica Section C

2,001

57

1

97

99

10.1107/S0108270100014220

0.71073

MoKα

0.0786

0.0466

null

0.1306

null

1.072

null

has coordinates,has Fobs

Varma, Ashok K.; Nangia, Ashwini; Desiraju, Gautam R.; Giri, Venkatachalam S.; Jaisankar, Parasuraman Hydrogen bonding in two tetracyclic indole alkaloids Acta Crystallographica Section C 57(1) (2001) 97-99

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011708.cif $ #-------------------------------------------------------------------...

2,011,709

7.307

0.015

9.405

0.002

10.989

0.002

94.82

0.03

108.84

0.03

90.96

0.03

711.4

1.5

293

2

293

2

null

4

P -1

-P 1

2

3-Acetyl-4-oxo-6,7-dihydro-12H-indolo[2,3-a]quinolizine monohytrate

3-Acetyl-4-oxo-6,7-dihydro-12H-indolo[2,3-a]quinolizine monohydrate

- C17 H16 N2 O3 -

- C34 H32 N4 O6 -

2

1

FR1299

Varma, Ashok K.; Nangia, Ashwini; Desiraju, Gautam R.; Giri, Venkatachalam S.; Jaisankar, Parasuraman

Hydrogen bonding in two tetracyclic indole alkaloids

Acta Crystallographica Section C

2,001

57

1

97

99

10.1107/S0108270100014220

0.71073

MoKα

0.1574

0.0624

null

0.1668

null

0.1167

null

1.031

null

1.156

null

has coordinates,has Fobs

Varma, Ashok K.; Nangia, Ashwini; Desiraju, Gautam R.; Giri, Venkatachalam S.; Jaisankar, Parasuraman Hydrogen bonding in two tetracyclic indole alkaloids Acta Crystallographica Section C 57(1) (2001) 97-99

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011709.cif $ #-------------------------------------------------------------------...

2,011,710

13.462

0.004

5.079

0.004

14.127

0.004

90

0.04

111.53

0.04

90

0.04

898.5

0.8

293

2

273

2

null

4

P 1 21 1

P 2yb

4

1-Methylindole-3-carboxyaldehyde oxime

- C10 H10 N2 O -

- C40 H40 N8 O4 -

4

2

GD1087

Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A.

1-Methylindole-3-carboxaldehyde oxime derivatives

Acta Crystallographica Section C

2,001

57

1

58

61

10.1107/S0108270100005795

1.5418

CuKα

0.144

0.049

null

0.129

null

1.001

null

has coordinates

Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A. 1-Methylindole-3-carboxaldehyde oxime derivatives Acta Crystallographica Section C 57(1) (2001) 58-61

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011710.cif $ #-------------------------------------------------------------------...

2,011,711

8.2351

0.0002

15.8892

0.0007

17.807

0.0011

71.148

0.004

81.245

0.004

75.124

0.003

2,125.02

0.18

293

2

293

2

null

4

P -1

-P 1

2

(E)-5-Methoxy-1-Methylindole-3-carboxyaldehyde oxime

- C11 H12 N2 O2 -

- C88 H96 N16 O16 -

8

4

GD1087

Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A.

1-Methylindole-3-carboxaldehyde oxime derivatives

Acta Crystallographica Section C

2,001

57

1

58

61

10.1107/S0108270100005795

1.5418

CuKα

0.11

0.054

null

0.173

null

1.046

null

has coordinates

Janes, Robert W.; Potter, Brian S.; Naylor, Matthew A.; Ferguson, Amanda C.; Patel, Kantilal B.; Stratford, Michael R. L.; Wardman, Peter; Everett, Steven A. 1-Methylindole-3-carboxaldehyde oxime derivatives Acta Crystallographica Section C 57(1) (2001) 58-61

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011711.cif $ #-------------------------------------------------------------------...

2,011,712

8.0746

0.0008

11.4613

0.0011

9.1121

0.0009

90

null

90.338

0.002

90

null

843.27

0.14

293

2

293

2

null

4

P 1 21 1

P 2yb

4

pseudokobusine

Hetisan-6, 11(β), 15(β)-triol

- C20 H27 N O3 -

- C40 H54 N2 O6 -

2

1

GG1019

Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Righi, Lara; Joshi, Balwant Shankar

Pseudokobusine

Acta Crystallographica Section C

2,001

57

1

68

69

10.1107/S0108270100012828

0.71073

MoKα

0.097

0.044

null

0.094

null

0.813

null

has coordinates,has Fobs

Bhattacharyya, Kinkini; Kar, Tanusree; Bocelli, Gabriele; Righi, Lara; Joshi, Balwant Shankar Pseudokobusine Acta Crystallographica Section C 57(1) (2001) 68-69

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/2/01/17/2011712.cif $ #-------------------------------------------------------------------...

2,011,713

24.6342

0.0007

11.7501

0.0002

21.4967

0.0007

90

null

102.397

0.001

90

null

6,077.2

0.3

150

2

150

2

null

4

C 1 2/c 1

-C 2yc

15

3,6,9,16,19,22-Hexa-azatricyclo[22.2.2.2^11,14^]triconta- 1(26),11(29),12,14(30),24,27-hexaene‒3,5-dinitrobenzoic acid‒methanol (1/4/2)

- C54 H62 N14 O26 -

- C216 H248 N56 O104 -

4

0.5

GG1023

Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher

A hydrogen-bonded adduct containing seven-component supramolecular aggregates

Acta Crystallographica Section C

2,001

57

1

88

91

10.1107/S0108270100013792

0.71073

MoKα

0.096

0.058

null

0.137

null

1.04

null

has coordinates,has disorder

Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher A hydrogen-bonded adduct containing seven-component supramolecular aggregates Acta Crystallographica Section C 57(1) (2001) 88-91

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/2/01/17/2011713.cif $ #-------------------------------------------------------------------...

2,011,714

10.5885

0.0004

11.584

0.0006

11.8301

0.0006

61.453

0.002

80.999

0.003

64.055

0.003

1,143.62

0.1

150

1

150

1

null

4

P -1

-P 1

2

4,4'-Trimethylenedipiperidine‒benzene-1,2,4,5-tetracarboxylic acid‒water (1/1/1)

- C23 H34 N2 O9 -

- C46 H68 N4 O18 -

2

1

GG1025

Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher

A three-dimensional hydrogen-bonded framework in 4,4'-trimethylenedipiperidinium‒2,5-dicarboxybenzene-1,4-dicarboxylate‒water (1/1/1)

Acta Crystallographica Section C

2,001

57

1

92

94

10.1107/S0108270100014013

0.71073

MoKα

0.084

0.051

null

0.118

null

1.02

null

has coordinates,has Fobs

Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Glidewell, Christopher A three-dimensional hydrogen-bonded framework in 4,4'-trimethylenedipiperidinium‒2,5-dicarboxybenzene-1,4-dicarboxylate‒water (1/1/1) Acta Crystallographica Section C 57(1) (2001) 92-94

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/2/01/17/2011714.cif $ #-------------------------------------------------------------------...

2,011,715

12.4285

0.0014

14.4182

0.0014

17.8511

0.0018

90

null

100.129

0.003

90

null

3,149

0.6

143

2

143

2

null

5

P 1 21/n 1

-P 2yn

14

2,4-Bis{[6-(2,2-dimethylpropyl)-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}-cyclobutenediylium-1,3-diolate

- C34 H40 N2 O2 S2 -

- C136 H160 N8 O8 S8 -

4

1

GG1026

Lawrentz, Ulf; Grahn, Walter; Dix, Ina; Jones, Peter G.

2,4-Bis{[6-(2,2-dimethylpropyl)-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}cyclobutenediylium-1,3-diolate

Acta Crystallographica Section C

2,001

57

1

126

128

10.1107/S0108270100015626

0.71073

MoKα

0.087

0.041

null

0.092

null

0.9

null

has coordinates,has Fobs

Lawrentz, Ulf; Grahn, Walter; Dix, Ina; Jones, Peter G. 2,4-Bis{[6-(2,2-dimethylpropyl)-3-ethyl-1,3-benzothiazol-2(3H)-ylidene]methyl}cyclobutenediylium-1,3-diolate Acta Crystallographica Section C 57(1) (2001) 126-128

194,651

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-04-03 14:08:44 +0300 (Mon, 03 Apr 2017) $ #$Revision: 194651 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/17/2011715.cif $ #-------------------------------------------------------------------...

2,011,716

9.2955

0.0001

8.6076

0.0001

26.5354

0.0003

90

null

96.44

0.001

90

null

2,109.75

0.04

100

2

null

6

P 1 21/c 1

-P 2ybc

14

- C23 H23 N O2 S Si -

- C92 H92 N4 O8 S4 Si4 -

4

1

GG1028

Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.

3,3-Diphenyl-6-(p-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane

Acta Crystallographica Section C

2,001

57

1

120

122

10.1107/S0108270100015638

0.71073

MoKα

null

0.041

null

0.116

null

1.04

null

has coordinates,has Fobs

Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J. 3,3-Diphenyl-6-(p-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane Acta Crystallographica Section C 57(1) (2001) 120-122

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011716.cif $ #-------------------------------------------------------------------...

2,011,717

9.4105

0.0002

8.6979

0.0001

26.7515

0.0005

90

null

95.993

0.001

90

null

2,177.69

0.07

293

2

null

6

P 1 21/c 1

-P 2ybc

14

- C23 H23 N O2 S Si -

- C92 H92 N4 O8 S4 Si4 -

4

1

GG1028

Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.

3,3-Diphenyl-6-(p-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane

Acta Crystallographica Section C

2,001

57

1

120

122

10.1107/S0108270100015638

0.71073

MoKα

null

0.0448

null

0.1307

null

1.032

null

has coordinates

Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J. 3,3-Diphenyl-6-(p-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane Acta Crystallographica Section C 57(1) (2001) 120-122

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011717.cif $ #-------------------------------------------------------------------...

2,011,718

9.4106

0.0006

8.6993

0.0003

26.7493

0.0016

90

null

96

0.005

90

null

2,177.9

0.2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

- C23 H23 N O2 S Si -

- C92 H92 N4 O8 S4 Si4 -

4

1

GG1028

Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J.

3,3-Diphenyl-6-(p-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane

Acta Crystallographica Section C

2,001

57

1

120

122

10.1107/S0108270100015638

0.71073

MoKα

null

0.0471

null

0.1351

null

0.988

null

has coordinates

Matthews, Jennifer L.; McArthur, Duncan R.; Muir, Kenneth W.; White, David N.J. 3,3-Diphenyl-6-(p-toluenesulfonyl)-6-aza-3-silabicyclo[3.1.0]hexane Acta Crystallographica Section C 57(1) (2001) 120-122

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011718.cif $ #-------------------------------------------------------------------...

2,011,719

11.0323

0.0007

11.7742

0.0004

14.1121

0.0009

90

null

99.38

0.002

90

null

1,808.6

0.17

298

null

4

P 1 21 1

P 2yb

4

Dimethyl 3-benzyl-2-(4-methyl-2,5-dioxoimidazolidin-1-yl)butanedioate

- C17 H20 N2 O6 -

- C68 H80 N8 O24 -

4

2

GS1100

Rolland, Marc; Jenhi, Aicha; Lavergne, Jean-Pierre; Martinez, Jean; Hasnaoui, Aïssa

Diméthyl 3-benzyl-2-(4-méthyl-2,5-dioxoimidazolidin-1-yl)butanedioate

Acta Crystallographica Section C

2,001

57

1

62

63

10.1107/S0108270100010830

0.71073

MoKα

0.069

0.052

null

0.048

null

1.215

null

1.241

null

has coordinates,has Fobs

Rolland, Marc; Jenhi, Aicha; Lavergne, Jean-Pierre; Martinez, Jean; Hasnaoui, Aïssa Diméthyl 3-benzyl-2-(4-méthyl-2,5-dioxoimidazolidin-1-yl)butanedioate Acta Crystallographica Section C 57(1) (2001) 62-63

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011719.cif $ #-------------------------------------------------------------------...

2,011,720

6.6653

0.0006

5.0767

0.0004

22.615

0.002

90

null

95.262

0.002

90

null

762.02

0.11

293

2

null

4

P 1 21 1

P 2yb

4

- C17 H23 N O2 -

- C34 H46 N2 O4 -

2

1

GS1106

Abdelhalim, Guelzim; Belloli, Emmanuelle; Yous, Said; Vaccher, Claude

Absolute configuration of N-[(–)-2-(7-methoxy-1,2,3,4-tetrahydro-1-naphthyl)ethyl]cyclopropylcarboxamide, a highly potent and selective melatonin analogue

Acta Crystallographica Section C

2,001

57

1

100

101

10.1107/S0108270100014724

0.71073

MoKα

0.0392

0.036

null

0.1069

null

1.062

null

has coordinates

Abdelhalim, Guelzim; Belloli, Emmanuelle; Yous, Said; Vaccher, Claude Absolute configuration of N-[(–)-2-(7-methoxy-1,2,3,4-tetrahydro-1-naphthyl)ethyl]cyclopropylcarboxamide, a highly potent and selective melatonin analogue Acta Crystallographica Section C 57(1) (2001) 100-101

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011720.cif $ #-------------------------------------------------------------------...

2,011,721

7.8836

0.0012

20.134

0.003

6.089

0.004

90

null

109.32

0.03

90

null

912

0.6

293

2

293

2

null

6

C 1 c 1

C -2yc

9

μ-chloro(tricinato-N,O,O')copper(II)

- C6 H12 Cl Cu N O5 -

- C24 H48 Cl4 Cu4 N4 O20 -

4

1

Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.

Conformational flexibility of tricine as a chelating agent in catena-poly[[(tricinato)copper(II)]-μ-chloro]

Acta Crystallographica, Section C

2,001

57

09

11

10.1107/S0108270100014281

null

has coordinates

Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L. Conformational flexibility of tricine as a chelating agent in catena-poly[[(tricinato)copper(II)]-μ-chloro] Acta Crystallographica, Section C 57 (2001) 09-11

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/2/01/17/2011721.cif $ #-------------------------------------------------------------------...

2,011,722

7.047

0.004

12.9533

0.0013

7.297

0.002

90

null

100.25

0.016

90

null

655.5

0.4

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

- C6 H14 Cl2 Cu N6 O4 -

- C12 H28 Cl4 Cu2 N12 O8 -

2

0.5

Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L.

Dichlorobis(glycocyamine-O)copper(II)

Acta Crystallographica, Section C

2,001

57

07

08

10.1107/S0108270100013469

null

has coordinates

Ramos Silva, M.; Paixão, J. A.; Matos Beja, A.; Alte da Veiga, L. Dichlorobis(glycocyamine-O)copper(II) Acta Crystallographica, Section C 57 (2001) 07-08

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/2/01/17/2011722.cif $ #-------------------------------------------------------------------...

2,011,723

11.8623

0.0002

16.3674

0.0001

14.1767

0.0002

90

null

111.943

0.001

90

null

2,553.08

0.06

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

Dichorobis(2-benzyl)benzimidazolo Zinc(II)

- C28 H24 Cl2 N4 Zn -

- C112 H96 Cl8 N16 Zn4 -

4

1

LN1109

Bei, Fengli; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun

Bis(2-benzyl-1H-benzimidazole-N^3^)dichorozinc(II)

Acta Crystallographica Section C

2,001

57

1

45

46

10.1107/S0108270100014876

0.71073

MoKα

0.082

0.051

null

0.133

null

0.93

null

has coordinates,has Fobs

Bei, Fengli; Jian, Fangfang; Yang, Xujie; Lu, Lude; Wang, Xin; Razak, Ibrahim Abdul; Shanmuga Sundara Raj, S.; Fun, Hoong-Kun Bis(2-benzyl-1H-benzimidazole-N^3^)dichorozinc(II) Acta Crystallographica Section C 57(1) (2001) 45-46

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/2/01/17/2011723.cif $ #-------------------------------------------------------------------...

2,011,724

9.1333

0.0007

7.431

0.0004

14.7171

0.0012

90

null

101.052

0.009

90

null

980.32

0.13

130

2

130

2

null

4

P 1 21 1

P 2yb

4

4,4'-Bipyridine dihydrate

- C10 H12 N2 O2 -

- C40 H48 N8 O8 -

4

2

LN1112

Näther, Christian; Riedel, Jens; Jeß, Inke

4,4'-Bipyridine dihydrate at 130K

Acta Crystallographica Section C

2,001

57

1

111

112

10.1107/S0108270100014888

0.71073

MoKα

0.073

0.041

null

0.126

null

1.017

null

has coordinates,has Fobs

Näther, Christian; Riedel, Jens; Jeß, Inke 4,4'-Bipyridine dihydrate at 130K Acta Crystallographica Section C 57(1) (2001) 111-112

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011724.cif $ #-------------------------------------------------------------------...

2,011,725

9.2248

0.0005

17.6451

0.0015

30.282

0.003

90

null

90

null

90

null

4,929.1

0.7

100

2

100

2

null

4

P 21 21 21

P 2ac 2ab

19

- C51 H69 Cl3 O7 -

- C204 H276 Cl12 O28 -

4

1

NA1482

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

A 1:1:1 chloroform/tetrahydrofuran solvate of p-tert-butyltetrahomodioxacalix[4]arene

Acta Crystallographica Section C

2,001

57

1

70

71

10.1107/S0108270100013329

0.71073

MoKα

0.1356

0.0775

null

0.213

null

0.96

null

has coordinates

Thuéry, Pierre; Nierlich, Martine; Vicens, Jacques; Masci, Bernardo A 1:1:1 chloroform/tetrahydrofuran solvate of p-tert-butyltetrahomodioxacalix[4]arene Acta Crystallographica Section C 57(1) (2001) 70-71

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011725.cif $ #-------------------------------------------------------------------...

2,011,726

12.373

0.002

31.939

0.002

11.064

0.002

90

null

90

null

90

null

4,372.3

1.1

294

2

294

2

null

3

P 21 21 21

P 2ac 2ab

19

- C43 H68 O11 -

- C172 H272 O44 -

4

1

NA1483

Allen, Paul; Brimble, Margaret A.; Turner, Peter

Polyether antibiotic CP44,161

Acta Crystallographica Section C

2,001

57

1

95

96

10.1107/S0108270100013950

0.71069

MoKα

0.1518

0.0387

null

0.1258

null

0.942

null

has coordinates,has Fobs

Allen, Paul; Brimble, Margaret A.; Turner, Peter Polyether antibiotic CP44,161 Acta Crystallographica Section C 57(1) (2001) 95-96

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011726.cif $ #-------------------------------------------------------------------...

2,011,727

7.677

0.002

7.915

0.003

20.408

0.005

90

null

99.64

0.02

90

null

1,222.6

0.6

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

N-(8-quinolyl)-2-pyridinecarboxamide

- C15 H11 N3 O -

- C60 H44 N12 O4 -

4

1

NA1484

Zhang, Junyong; Liu, Qin; Xu, Yan; Zhang, Yong; You, Xiaozeng; Guo, Zijian

N-(8-Quinolyl)pyridine-2-carboxamide

Acta Crystallographica Section C

2,001

57

1

109

110

10.1107/S0108270100015158

0.71073

MoKα

0.08

0.046

null

0.122

null

1.073

null

has coordinates,has Fobs

Zhang, Junyong; Liu, Qin; Xu, Yan; Zhang, Yong; You, Xiaozeng; Guo, Zijian N-(8-Quinolyl)pyridine-2-carboxamide Acta Crystallographica Section C 57(1) (2001) 109-110

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011727.cif $ #-------------------------------------------------------------------...

2,011,728

13.5489

0.0013

7.4975

0.001

13.6783

0.0012

90

null

110.309

0.008

90

null

1,303.1

0.3

291

1

291

1

null

3

P 1 21/n 1

-P 2yn

14

4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl

- C12 Br2 F8 -

- C48 Br8 F32 -

4

1

NA1487

Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe

4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl

Acta Crystallographica Section C

2,001

57

1

113

114

10.1107/S0108270100015419

0.71069

MoKα

0.068

0.034

null

0.063

null

0.83

null

has coordinates,has Fobs

Pilati, Tullio; Metrangolo, Pierangelo; Resnati, Giuseppe 4,4'-Dibromo-2,2',3,3',5,5',6,6'-octafluorobiphenyl Acta Crystallographica Section C 57(1) (2001) 113-114

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011728.cif $ #-------------------------------------------------------------------...

2,011,729

9.56

0.002

10.806

0.002

12.462

0.002

91.96

0.03

96.21

0.03

92.37

0.03

1,277.8

0.4

293

2

293

2

null

5

P -1

-P 1

2

- C32 H16 Cl N8 Sb -

- C64 H32 Cl2 N16 Sb2 -

2

1

NA1489

Janczak, Jan; Kubiak, Ryszard

[Phthalocyaninato(2‒)]antimony(III) chloride

Acta Crystallographica Section C

2,001

57

1

55

57

10.1107/S0108270100015420

0.71073

MoKα

0.1174

0.0498

null

0.0605

null

1.026

null

has coordinates,has Fobs

Janczak, Jan; Kubiak, Ryszard [Phthalocyaninato(2‒)]antimony(III) chloride Acta Crystallographica Section C 57(1) (2001) 55-57

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/2/01/17/2011729.cif $ #-------------------------------------------------------------------...

2,011,730

33.622

0.007

10.562

0.002

7.067

0.001

90

null

90

null

90

null

2,509.6

0.8

293

2

295

2

null

4

P b c n

-P 2n 2ab

60

- C11 H12 N6 O4 -

- C88 H96 N48 O32 -

8

1

NA1491

Janczak, Jan; Perpétuo, Genivaldo Julio

Melaminium phthalate

Acta Crystallographica Section C

2,001

57

1

123

125

10.1107/S0108270100016607

0.71073

MoKα

0.1267

0.0456

null

0.1257

null

1.005

null

has coordinates

Janczak, Jan; Perpétuo, Genivaldo Julio Melaminium phthalate Acta Crystallographica Section C 57(1) (2001) 123-125

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011730.cif $ #-------------------------------------------------------------------...

2,011,731

17.258

0.004

17.614

0.004

6.925

0.002

90

null

90

null

90

null

2,105.1

0.9

298

null

298

null

5

P b c a

-P 2ac 2ab

61

- C6 H6 Ba Cl2 O7 -

- C48 H48 Ba8 Cl16 O56 -

8

1

OA1107

Kashino, Setsuo; Ishida, Hiroyuki; Fukunaga, Takeo; Oishi, Shuji

A new polymorph of barium chloroanilate trihydrate

Acta Crystallographica Section C

2,001

57

1

18

19

10.1107/S0108270100013639

0.71073

MoKα

0.071

0.06

null

0.067

null

0.065

null

1.608

null

1.67

null

has coordinates,has Fobs

Kashino, Setsuo; Ishida, Hiroyuki; Fukunaga, Takeo; Oishi, Shuji A new polymorph of barium chloroanilate trihydrate Acta Crystallographica Section C 57(1) (2001) 18-19

189,185

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2016-12-18 03:18:26 +0200 (Sun, 18 Dec 2016) $ #$Revision: 189185 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/17/2011731.cif $ #-------------------------------------------------------------------...

2,011,732

7.3928

0.0018

14.1176

0.0011

15.7262

0.0016

92.439

0.008

96.573

0.014

104.249

0.011

1,576.1

0.4

293

2

293

2

null

6

P -1

-P 1

2

Bis-[3,6-bis(6-methyl-2-pyridyl)pyridazine-κ^2^N^2^,N^3^]chlorocopper(II) perchlorate

- C32 H28 Cl2 Cu N8 O4 -

- C64 H56 Cl4 Cu2 N16 O8 -

2

1

OA1109

Choi, Ki-Young; Sung, Nack-Do; Yun, Ki-Seob; Park, Young-Soo; Kim, Jin-Gyu; Suh, Il-Hwan

Bis[3,6-bis(6-methyl-2-pyridyl)pyridazine-κ^2^N^2^,N^3^]chlorocopper(II) perchlorate

Acta Crystallographica Section C

2,001

57

1

47

48

10.1107/S0108270100015171

0.71073

MoKα

0.107

0.06

null

0.153

null

1.019

null

has coordinates,has disorder,has Fobs

Choi, Ki-Young; Sung, Nack-Do; Yun, Ki-Seob; Park, Young-Soo; Kim, Jin-Gyu; Suh, Il-Hwan Bis[3,6-bis(6-methyl-2-pyridyl)pyridazine-κ^2^N^2^,N^3^]chlorocopper(II) perchlorate Acta Crystallographica Section C 57(1) (2001) 47-48

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/2/01/17/2011732.cif $ #-------------------------------------------------------------------...

2,011,733

7.595

0.001

7.498

0.001

27.277

0.002

90

null

95.332

0.007

90

null

1,546.6

0.3

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

4-{[(1E)-(2-Hydroxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-1,2-dihydro -3H-pyrazol-3-one

- C18 H17 N3 O2 -

- C72 H68 N12 O8 -

4

1

OS1128

Hökelek, Tuncer; Işıklan, Muhammed; Kılıç, Zeynel

4-{[(1E)-(2-Hydroxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one

Acta Crystallographica Section C

2,001

57

1

117

119

10.1107/S0108270100015535

1.5418

CuKα

0.078

0.066

null

0.18

null

0.802

null

has coordinates,has Fobs

Hökelek, Tuncer; Işıklan, Muhammed; Kılıç, Zeynel 4-{[(1E)-(2-Hydroxyphenyl)methylidene]amino}-1,5-dimethyl-2-phenyl-2,3-dihydro-1H-pyrazol-3-one Acta Crystallographica Section C 57(1) (2001) 117-119

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011733.cif $ #-------------------------------------------------------------------...

2,011,734

7.5259

0.0015

14.25

0.003

14.565

0.003

111.79

0.03

90.72

0.03

90.92

0.03

1,449.9

0.6

293

2

293

2

null

6

P -1

-P 1

2

Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-κ^3^N]nickel(II)} bis(tetrathioantimonate)

- C24 H78 N18 Ni3 S8 Sb2 -

1

0.5

SK1394

Stähler, Ralph; Näther, Christian; Bensch, Wolfgang

Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-κ^3^N]nickel(II)} bis(tetrathioantimonate)

Acta Crystallographica Section C

2,001

57

1

26

27

10.1107/S0108270100014359

0.71073

MoKα

0.038

0.027

null

0.071

null

1.047

null

has coordinates,has disorder,has Fobs

Stähler, Ralph; Näther, Christian; Bensch, Wolfgang Tris{bis[N-(2-aminoethyl)-1,2-ethanediamine-κ^3^N]nickel(II)} bis(tetrathioantimonate) Acta Crystallographica Section C 57(1) (2001) 26-27

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011734.cif $ #-------------------------------------------------------------------...

2,011,735

12.7108

0.0008

7.4801

0.0006

14.2397

0.0009

90

null

110.542

0.005

90

null

1,267.8

0.16

294

1

294

1

null

5

P 1 21/a 1

-P 2yab

14

Ferrocenylthiophene carboxylic acid

2-(Ferrocenyl)thiophene-3-carboxylic acid

- C15 H12 Fe O2 S -

- C60 H48 Fe4 O8 S4 -

4

1

SK1424

Gallagher, John F.; Hudson, Richard D. A.; Manning, A. R.

Intermolecular O—H···O and C—H···π(C~5~H~5~), and intramolecular C—H···O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid

Acta Crystallographica Section C

2,001

57

1

28

30

10.1107/S0108270100014360

0.71073

MoKα

0.045

0.033

null

0.082

null

1.05

null

has coordinates,has disorder,has Fobs

Gallagher, John F.; Hudson, Richard D. A.; Manning, A. R. Intermolecular O—H···O and C—H···π(C~5~H~5~), and intramolecular C—H···O interactions in 2-(ferrocenyl)thiophene-3-carboxylic acid Acta Crystallographica Section C 57(1) (2001) 28-30

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/2/01/17/2011735.cif $ #-------------------------------------------------------------------...

2,011,736

18.169

0.004

9.801

0.002

12.726

0.003

90

null

126.96

0.03

90

null

1,810.8

1

130

2

130

2

null

4

C 1 2 1

C 2y

5

(-)-Argemonine hemihydrate

(6S,12S)-2,3,8,9-tetramethoxy-13-methyl-13- azadibenzo[b,f]bicyclo[3.3.1]nona-2,6-diene hemihydrate

- C21 H26 N O4.5 -

- C84 H104 N4 O18 -

4

1

SX1108

Nečas, Marek; Dostál, Jiří; Slavík, Jiří

(–)-Argemonine hemihydrate

Acta Crystallographica Section C

2,001

57

1

66

67

10.1107/S010827010001252X

0.71073

MoKα

0.028

null

0.077

null

1.057

null

has coordinates

Nečas, Marek; Dostál, Jiří; Slavík, Jiří (–)-Argemonine hemihydrate Acta Crystallographica Section C 57(1) (2001) 66-67

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011736.cif $ #-------------------------------------------------------------------...

2,011,737

10.5807

0.0015

5.65

0.002

12.093

0.003

90

0.03

113.83

0.01

90

0.02

661.3

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

Glycinium oxalate

- C4 H7 N O6 -

- C16 H28 N4 O24 -

4

1

VJ1115

Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S.

Glycinium oxalate

Acta Crystallographica Section C

2,001

57

1

115

116

10.1107/S0108270100015456

1.5418

CuKα

0.0362

0.0358

null

0.1059

null

1.205

null

has coordinates

Subha Nandhini, M.; Krishnakumar, R.V.; Natarajan, S. Glycinium oxalate Acta Crystallographica Section C 57(1) (2001) 115-116

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011737.cif $ #-------------------------------------------------------------------...

2,011,738

13.5437

0.0005

8.8923

0.0001

9.7121

0.0004

90

null

103.593

0.002

90

null

1,136.91

0.06

298

2

298

2

null

6

P 1 21/c 1

-P 2ybc

14

aqua(η^2^-allylammonium)bis(sulfamato-N)copper(I)

- C3 H14 Cu N3 O7 S2 -

- C12 H56 Cu4 N12 O28 S8 -

4

1

AV1052

Melnyk, Oksana P.; Schollmeyer, Dieter; Olijnyk, Volodymyr V.; Filinchuk, Yaroslav E.

(η^2^-Allylammonium)aquabis(sulfamato-N)copper(I)

Acta Crystallographica Section C

2,001

57

2

151

153

10.1107/S0108270100016218

1.54178

CuKα

0.042

0.0417

null

0.1167

null

1.251

null

has coordinates

Melnyk, Oksana P.; Schollmeyer, Dieter; Olijnyk, Volodymyr V.; Filinchuk, Yaroslav E. (η^2^-Allylammonium)aquabis(sulfamato-N)copper(I) Acta Crystallographica Section C 57(2) (2001) 151-153

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011738.cif $ #-------------------------------------------------------------------...

2,011,739

6.78

0.001

6.112

0.001

10.694

0.002

90

null

107.25

0.01

90

null

423.22

0.12

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

1,5-diaminotetrazole

- C H4 N6 -

- C4 H16 N24 -

4

1

AV1058

Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V.

1,5-Diamino-1H-1,2,3,4-tetrazole

Acta Crystallographica Section C

2,001

57

2

185

186

10.1107/S010827010001622X

0.71069

MoKα

0.0459

0.0408

null

0.1316

null

1.077

null

has coordinates,has Fobs

Lyakhov, Alexander S.; Gaponik, Pavel N.; Voitekhovich, Sergei V. 1,5-Diamino-1H-1,2,3,4-tetrazole Acta Crystallographica Section C 57(2) (2001) 185-186

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011739.cif $ #-------------------------------------------------------------------...

2,011,740

5.944

0.001

11.2

0.002

11.899

0.002

62.58

0.01

87.14

0.02

81.32

0.02

694.9

0.2

180

2

180

2

null

5

P -1

-P 1

2

Thiophenolate sodium tetramethylethylenediamine

- C12 H21 N2 Na S -

- C24 H42 N4 Na2 S2 -

2

1

AV1063

Heigel, Erik; Bock, Hans; Krenzel, Volker; Sievert, Mark

Sodium thiophenolate N,N,N',N'-tetramethylethylenediamine

Acta Crystallographica Section C

2,001

57

2

154

155

10.1107/S0108270100016589

0.71073

MoKα

0.0422

0.0345

null

0.0939

null

1.052

null

has coordinates,has Fobs

Heigel, Erik; Bock, Hans; Krenzel, Volker; Sievert, Mark Sodium thiophenolate N,N,N',N'-tetramethylethylenediamine Acta Crystallographica Section C 57(2) (2001) 154-155

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011740.cif $ #-------------------------------------------------------------------...

2,011,741

8.505

0.003

9.541

0.003

6.827

0.002

90

null

115.33

0.03

90

null

500.7

0.3

145.2

null

145.2

null

5

C 1 2/m 1

-C 2y

12

Quinolizinium hexafluorophosphate

- C9 H8 F6 N P -

- C18 H16 F12 N2 P2 -

2

0.25

BJ1008

Sato, Kiyoshi; Arai, Sadao; Yamagishi, Takamichi; Tanase, Tomoaki

Quinolizinium hexafluorophosphate

Acta Crystallographica Section C

2,001

57

2

174

175

10.1107/S0108270100015742

0.7107

MoKα

0.028

0.025

null

0.068

null

1.086

null

has coordinates,has Fobs

Sato, Kiyoshi; Arai, Sadao; Yamagishi, Takamichi; Tanase, Tomoaki Quinolizinium hexafluorophosphate Acta Crystallographica Section C 57(2) (2001) 174-175

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/2/01/17/2011741.cif $ #-------------------------------------------------------------------...

2,011,742

17.3138

0.0005

7.333

0.0001

16.8507

0.0005

90

null

117.838

0.001

90

null

1,891.81

0.08

150

2

150

2

null

3

C 1 2/c 1

-C 2yc

15

2',4',6'-trihydroxy-1-methoxyacetophenone

- C9 H12 O6 -

- C72 H96 O48 -

8

1

BJ1012

Ferreira, Ester S. B.; Hulme, Alison N.; McNab, Hamish; Parsons, Simon; Quye, Anita

2',4',6'-Trihydroxy-1-methoxyacetophenone monohydrate at 150K

Acta Crystallographica Section C

2,001

57

2

211

212

10.1107/S0108270100018485

0.71073

MoKα

0.0641

0.0405

null

0.1091

null

1.05

null

has coordinates

Ferreira, Ester S. B.; Hulme, Alison N.; McNab, Hamish; Parsons, Simon; Quye, Anita 2',4',6'-Trihydroxy-1-methoxyacetophenone monohydrate at 150K Acta Crystallographica Section C 57(2) (2001) 211-212

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011742.cif $ #-------------------------------------------------------------------...

2,011,743

10.698

0.005

8.939

0.004

23.026

0.011

90

null

91.66

0.04

90

null

2,201

1.8

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

Methyl 3-oxo-2-(triphenylphosphoranylidene)butyrate

- C26 H24 O3 P -

- C104 H96 O12 P4 -

4

1

BK1566

Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.

Methyl, ethyl, isopropyl and tert-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation

Acta Crystallographica Section C

2,001

57

2

180

184

10.1107/S0108270100016012

0.71073

MoKα

0.073

0.043

null

0.094

null

1.059

null

has coordinates,has Fobs

Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F. Methyl, ethyl, isopropyl and tert-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation Acta Crystallographica Section C 57(2) (2001) 180-184

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/2/01/17/2011743.cif $ #-------------------------------------------------------------------...

2,011,744

14.815

0.004

16.226

0.005

17.67

0.005

90

null

90

null

90

null

4,248

2

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

Ethyl 3-oxo-2-(triphenylphosphoranylidene)butyrate

- C24 H23 O3 P -

- C192 H184 O24 P8 -

8

1

BK1566

Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.

Methyl, ethyl, isopropyl and tert-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation

Acta Crystallographica Section C

2,001

57

2

180

184

10.1107/S0108270100016012

0.71073

MoKα

0.138

0.058

null

0.124

null

0.988

null

has coordinates,has disorder,has Fobs

Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F. Methyl, ethyl, isopropyl and tert-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation Acta Crystallographica Section C 57(2) (2001) 180-184

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/2/01/17/2011744.cif $ #-------------------------------------------------------------------...

2,011,745

14.932

0.007

16.343

0.006

17.78

0.007

90

null

90

null

90

null

4,339

3

293

2

293

2

null

4

P b c a

-P 2ac 2ab

61

i-Propyl 3-oxo-2-(triphenylphosphoranylidene)butyrate

- C25 H25 O3 P -

- C200 H200 O24 P8 -

8

1

BK1566

Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.

Methyl, ethyl, isopropyl and tert-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation

Acta Crystallographica Section C

2,001

57

2

180

184

10.1107/S0108270100016012

0.71073

MoKα

0.195

0.089

null

0.16

null

1.026

null

has coordinates,has Fobs

Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F. Methyl, ethyl, isopropyl and tert-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation Acta Crystallographica Section C 57(2) (2001) 180-184

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/2/01/17/2011745.cif $ #-------------------------------------------------------------------...

2,011,746

9.668

0.006

13.975

0.008

16.625

0.011

90

null

94.69

0.05

90

null

2,239

2

293

2

293

2

null

4

P 1 21/n 1

-P 2yn

14

t-Butyl 3-oxo-2-(triphenylphosphoranylidene)butyrate

- C26 H27 O3 P -

- C104 H108 O12 P4 -

4

1

BK1566

Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F.

Methyl, ethyl, isopropyl and tert-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation

Acta Crystallographica Section C

2,001

57

2

180

184

10.1107/S0108270100016012

0.71073

MoKα

0.059

0.04

null

0.101

null

1.013

null

has coordinates,has Fobs

Castañeda, Fernando; Terraza, Claudio A.; Garland, Maria Teresa; Bunton, Clifford A.; Baggio, Ricardo F. Methyl, ethyl, isopropyl and tert-butyl 3-oxo-2-(triphenylphosphoranylidene)butyrates, a common pattern for a preferred conformation Acta Crystallographica Section C 57(2) (2001) 180-184

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/2/01/17/2011746.cif $ #-------------------------------------------------------------------...

2,011,747

10.643

0.003

15.624

0.003

11.349

0.003

90

null

110.5

0.012

90

null

1,767.7

0.8

143

2

143

2

null

5

P 1 21 1

P 2yb

4

2-aminopyridinium di(benzenesulfonyl)amidate

- C17 H17 N3 O4 S2 -

- C68 H68 N12 O16 S8 -

4

2

BM1426

Wijaya, Karna; Moers, Oliver; Jones, Peter G.; Blaschette, Armand

Polysulfonylamines. CXXXII. A robust~eight-membered ring motif in the hydrogen-bonded structure of 2-aminopyridinium di(benzenesulfonyl)amidate

Acta Crystallographica Section C

2,001

57

2

167

169

10.1107/S010827010001427X

0.71073

MoKα

0.045

0.04

null

0.103

null

1.044

null

has coordinates,has Fobs

Wijaya, Karna; Moers, Oliver; Jones, Peter G.; Blaschette, Armand Polysulfonylamines. CXXXII. A robust~eight-membered ring motif in the hydrogen-bonded structure of 2-aminopyridinium di(benzenesulfonyl)amidate Acta Crystallographica Section C 57(2) (2001) 167-169

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011747.cif $ #-------------------------------------------------------------------...

2,011,748

7.474

0.003

15.262

0.006

15.87

0.008

90

null

90

null

90

null

1,810.3

1.4

150

2

150

2

null

3

P 21 21 21

P 2ac 2ab

19

Nodosin

- C20 H26 O6 -

- C80 H104 O24 -

4

1

BM1432

Cox, Philip J.; Meng, Yanhui; Sarker, Satyajit D.; Deng, Qinying; Xu, Guo

Nodosin

Acta Crystallographica Section C

2,001

57

2

203

204

10.1107/S0108270100017406

0.71073

MoKα

0.0885

0.047

null

0.103

null

1.019

null

has coordinates,has Fobs

Cox, Philip J.; Meng, Yanhui; Sarker, Satyajit D.; Deng, Qinying; Xu, Guo Nodosin Acta Crystallographica Section C 57(2) (2001) 203-204

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011748.cif $ #-------------------------------------------------------------------...

2,011,749

7.1139

0.0009

39.501

0.005

14.7094

0.0013

90

null

96.636

0.009

90

null

4,105.7

0.8

298

null

298

null

6

P 1 21/n 1

-P 2yn

14

[N-(4-chlorobenzoyl)-N'-(picolinylidene)hydrazinato]dioxovanadium(V)

- C13 H9 Cl N3 O3 V -

- C156 H108 Cl12 N36 O36 V12 -

12

3

BM1436

Pal, Satyanarayan; Pal, Samudranil

[N-(4-Chlorobenzoyl)-N'-(picolinylidene)hydrazinato]dioxovanadium(V)

Acta Crystallographica Section C

2,001

57

2

141

142

10.1107/S0108270100017418

0.71073

MoKα

0.144

0.049

null

0.126

null

1.013

null

has coordinates,has Fobs

Pal, Satyanarayan; Pal, Samudranil [N-(4-Chlorobenzoyl)-N'-(picolinylidene)hydrazinato]dioxovanadium(V) Acta Crystallographica Section C 57(2) (2001) 141-142

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011749.cif $ #-------------------------------------------------------------------...

1,543,555

7.7107

0.0006

8.6088

0.0007

10.1043

0.0008

89.33

0.002

76.717

0.002

82.163

0.003

646.55

0.09

null

100

null

6

P -1

-P 1

2

- C11 H11 Cl Cu N4 O3 -

2

1

Palanisamy Sathyadevi; Paramasivam Krishnamoorthy; Rachel R. Butorac; Alan H. Cowley; Nallasamy Dharmaraj

Novel ONN pincer type copper(II) hydrazide complexes: An investigation on the effect of electronegativity and ring size of heterocyclic hydrazides towards nucleic acid/protein binding, free radical scavenging and cytotoxicity

Inorganica Chimica Acta

2,014

null

185

194

10.1016/j.ica.2013.09.015

x-ray

0.71075

MoKα

null

0.0328

null

0.0945

null

1.076

null

Palanisamy Sathyadevi; Paramasivam Krishnamoorthy; Rachel R. Butorac; Alan H. Cowley; Nallasamy Dharmaraj Novel ONN pincer type copper(II) hydrazide complexes: An investigation on the effect of electronegativity and ring size of heterocyclic hydrazides towards nucleic acid/protein binding, free radical scavenging and c...

211,137

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2018-09-24 09:49:13 +0300 (Mon, 24 Sep 2018) $ #$Revision: 211137 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/1/54/35/1543555.cif $ #-------------------------------------------------------------------...

2,011,750

9.0793

0.0003

9.0793

0.0003

14.4862

0.0008

90

null

90

null

90

null

1,194.15

0.09

10

2

10

2

null

3

I 4/m c m

-I 4 2c

140

- Cl5 Co Cs3 -

- Cl20 Co4 Cs12 -

4

0.125

BR1294

Figgis, Brian N.; Sobolev, Alexandre N.

Cs~3~CoCl~5~ at 10K

Acta Crystallographica Section C

2,001

57

2

139

140

10.1107/S0108270100017297

0.71073

MoKα

0.0206

null

0.0448

null

1.442

null

has coordinates,has Fobs

Figgis, Brian N.; Sobolev, Alexandre N. Cs~3~CoCl~5~ at 10K Acta Crystallographica Section C 57(2) (2001) 139-140

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/2/01/17/2011750.cif $ #-------------------------------------------------------------------...

2,011,751

6.6185

0.0005

12.3948

0.0008

14.5069

0.001

90

null

90.822

0.001

90

null

1,189.95

0.14

293

2

293

2

null

4

P 1 21 1

P 2yb

4

sipeimine

3β,20β-dihydroxy-6-one-5α-cevanine

- C27 H43 N O3 -

- C54 H86 N2 O6 -

2

1

DE1149

Jiang, Ren-Wang; Ma, Shuang-Cheng; But, Paul P. H.; Dong, Hui; Mak, Thomas C. W.

Sipeimine, a steroidal alkaloid from Fritillaria roylei Hooker

Acta Crystallographica Section C

2,001

57

2

170

171

10.1107/S0108270100014499

0.71073

MoKα

0.0613

0.0413

null

0.1105

null

0.992

null

has coordinates

Jiang, Ren-Wang; Ma, Shuang-Cheng; But, Paul P. H.; Dong, Hui; Mak, Thomas C. W. Sipeimine, a steroidal alkaloid from Fritillaria roylei Hooker Acta Crystallographica Section C 57(2) (2001) 170-171

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011751.cif $ #-------------------------------------------------------------------...

2,011,752

8.9889

0.001

4.977

0.002

16.79

0.004

90

null

90.9

0.01

90

null

751.1

0.4

293

2

293

2

null

4

P 1 21/a 1

-P 2yab

14

Bis(Methylglycyl)terephthalamide

- C14 H16 N2 O6 -

- C28 H32 N4 O12 -

2

0.5

DE1152

Armelin, Elaine; Escudero, Encarnacion; Campos, Lourdes; Puiggali, Jordi

N,N'-Bis(methoxycarbonylmethyl)terephthalamide

Acta Crystallographica Section C

2,001

57

2

172

173

10.1107/S0108270100014864

1.54178

CuKα

0.075

0.069

null

0.175

null

1.491

null

has coordinates,has Fobs

Armelin, Elaine; Escudero, Encarnacion; Campos, Lourdes; Puiggali, Jordi N,N'-Bis(methoxycarbonylmethyl)terephthalamide Acta Crystallographica Section C 57(2) (2001) 172-173

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011752.cif $ #-------------------------------------------------------------------...

2,011,753

6.33

0.005

9.007

0.007

12.25

0.01

84.427

0.009

85.113

0.009

79.425

0.009

681.7

0.9

163

2

163

2

null

4

P -1

-P 1

2

4,4'-Di(2-pyridyl)-3,3'-bi-1,2,5-thiadiazole

- C14 H8 N6 S2 -

- C28 H16 N12 S4 -

2

1

DE1157

Richardson, Chris; Steel, Peter J.

4,4'-Bis(2-pyridyl)-3,3'-bi-1,2,5-thiadiazole

Acta Crystallographica Section C

2,001

57

2

197

198

10.1107/S0108270100017431

0.71073

MoKα

0.0566

0.0378

null

0.0988

null

0.997

null

has coordinates

Richardson, Chris; Steel, Peter J. 4,4'-Bis(2-pyridyl)-3,3'-bi-1,2,5-thiadiazole Acta Crystallographica Section C 57(2) (2001) 197-198

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011753.cif $ #-------------------------------------------------------------------...

2,011,754

19.5061

0.0019

5.382

0.0005

20.976

0.002

90

null

103.897

0.002

90

null

2,137.6

0.4

193

2

null

4

P 1 21/c 1

-P 2ybc

14

Diquinoxalino[2,3-a:2*,3*-c]phenazine chloroform

- C25 H13 Cl3 N6 -

- C100 H52 Cl12 N24 -

4

1

DE1159

Du, Miao; Bu, Xian-He; Biradha, Kumar

A large delocalized π-electron system: diquinoxalino[2,3-a:2',3'-c]phenazine chloroform solvate

Acta Crystallographica Section C

2,001

57

2

199

200

10.1107/S0108270100017443

0.71073

MoKα

null

0.0465

null

0.0927

null

0.814

null

has coordinates

Du, Miao; Bu, Xian-He; Biradha, Kumar A large delocalized π-electron system: diquinoxalino[2,3-a:2',3'-c]phenazine chloroform solvate Acta Crystallographica Section C 57(2) (2001) 199-200

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011754.cif $ #-------------------------------------------------------------------...

2,011,755

17.134

0.005

18.9575

0.0008

14.0859

0.0006

90

null

111.159

0.003

90

null

4,266.9

1.3

150

2

150

2

null

5

P 1 21/c 1

-P 2ybc

14

Bis(μ-2-aminopyrimidine-N^1^) tetrakis[μ-(4-nitrophenyl)acetato-O:O'] dicopper(II)

- C40 H34 Cu2 N10 O16 -

- C160 H136 Cu8 N40 O64 -

4

1

DE1163

Lynch, Daniel E.; Duckhouse, Helen L.

Tetrakis[μ-(4-nitrophenyl)acetato-O:O']bis[(2-aminopyrimidine-N^1^)copper(II)]

Acta Crystallographica Section C

2,001

57

2

158

159

10.1107/S0108270100017455

0.71073

MoKα

0.1944

0.0661

null

0.1485

null

0.918

null

has coordinates

Lynch, Daniel E.; Duckhouse, Helen L. Tetrakis[μ-(4-nitrophenyl)acetato-O:O']bis[(2-aminopyrimidine-N^1^)copper(II)] Acta Crystallographica Section C 57(2) (2001) 158-159

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011755.cif $ #-------------------------------------------------------------------...

2,011,756

17.7211

0.0008

16.005

0.0007

18.5655

0.0009

90

null

94.904

0.001

90

null

5,246.4

0.4

173

2

173

2

null

7

P 1 21/n 1

-P 2yn

14

- C52 H45 B F20 Ga2 N4 O -

- C208 H180 B4 F80 Ga8 N16 O4 -

4

1

FR1292

Guzei, Ilia A.; Dagorne, Samuel; Jordan, Richard F.

A cationic hydroxo-bridged dinuclear gallium complex

Acta Crystallographica Section C

2,001

57

2

143

144

10.1107/S0108270100013962

0.71073

MoKα

0.082

0.038

null

0.0542

null

0.996

null

has coordinates,has Fobs

Guzei, Ilia A.; Dagorne, Samuel; Jordan, Richard F. A cationic hydroxo-bridged dinuclear gallium complex Acta Crystallographica Section C 57(2) (2001) 143-144

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/2/01/17/2011756.cif $ #-------------------------------------------------------------------...

2,011,757

7.492

0.003

28.929

0.007

10.334

0.005

90

null

90

null

90

null

2,239.8

1.5

293

2

293

2

null

6

P n m a

-P 2ac 2n

62

μ-[1,3-bis(5-chlorosalicylideneamino)propanol]-O,N,O':O',N',O''-μ-(3,5- dimethylpyrazolato)-N:N'-dinickel(II)

- C22 H20 Cl2 N4 Ni2 O3 -

- C88 H80 Cl8 N16 Ni8 O12 -

4

0.5

FR1306

Elerman, Yalc̨ın; Kara, Hülya; Prout, Keith; Chipindale, Ann

A dinuclear pyrazolato-N:N'-bridged dinickel(II) complex of 1,3-bis(5-chlorosalicylideneamino)propan-2-ol

Acta Crystallographica Section C

2,001

57

2

149

150

10.1107/S0108270100015808

1.5418

CuKα

0.154

0.043

null

0.155

null

1.041

null

has coordinates,has Fobs

Elerman, Yalc̨ın; Kara, Hülya; Prout, Keith; Chipindale, Ann A dinuclear pyrazolato-N:N'-bridged dinickel(II) complex of 1,3-bis(5-chlorosalicylideneamino)propan-2-ol Acta Crystallographica Section C 57(2) (2001) 149-150

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011757.cif $ #-------------------------------------------------------------------...

2,011,758

10.328

0.002

11.605

0.002

14.796

0.003

70

0.03

86.37

0.03

76.19

0.03

1,617.9

0.7

105

2

105

2

null

4

P 1

1

- C33 H36 N6 O8 -

- C66 H72 N12 O16 -

2

GD1118

Ejsmont, Krzysztof; Makowski, Maciej; Zaleski, Jacek

N-(tert-Butoxycarbonylglycyl-α,β-dehydrophenylalanylglycylphenylalanyl)-4-nitroaniline

Acta Crystallographica Section C

2,001

57

2

205

207

10.1107/S0108270100017753

0.71073

MoKα

0.0375

0.0319

null

0.1053

null

1.018

null

has coordinates,has Fobs

Ejsmont, Krzysztof; Makowski, Maciej; Zaleski, Jacek N-(tert-Butoxycarbonylglycyl-α,β-dehydrophenylalanylglycylphenylalanyl)-4-nitroaniline Acta Crystallographica Section C 57(2) (2001) 205-207

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011758.cif $ #-------------------------------------------------------------------...

2,011,759

30.594

0.006

10.285

0.002

7.474

0.001

90

null

91.07

0.03

90

null

2,351.4

0.7

150

1

150

2

null

4

C 1 2 1

C 2y

5

4-[β-D-(tri-O-acetyl)xylopyranosyl)amino-7-carbomethoxy-6-methyl- 5-methyoxy-1H-pyrrolo[3,4-c]pyridin-1,3(2H)-dione

- C22 H25 N3 O12 -

- C88 H100 N12 O48 -

4

1

GD1119

Low, John Nicolson; Garcia, Celeste; Melguizo, Manuel; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Lο'pez, M. Dolores; Light, Mark E.

A unique axially triacetylated xylopyranose structure, methyl 6-methoxy-2-methyl-1,3-dioxo-4-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino]-2,3-dihydro-1H-pyrrolo[3,4-c]pyridine-7-carboxylate

Acta Crystallographica Section C

2,001

57

2

222

224

10.1107/S0108270100018163

0.71073

MoKα

0.1426

0.0819

null

0.226

null

0.999

null

has coordinates

Low, John Nicolson; Garcia, Celeste; Melguizo, Manuel; Cobo, Justo; Nogueras, Manuel; Sanchez, Adolfo; Lο'pez, M. Dolores; Light, Mark E. A unique axially triacetylated xylopyranose structure, methyl 6-methoxy-2-methyl-1,3-dioxo-4-[(2,3,4-tri-O-acetyl-β-D-xylopyranosyl)amino]-2,3-dihydro-1H...

301,798

2025-08-19

6:41:48

#------------------------------------------------------------------------------ #$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/2/01/17/2011759.cif $ #-------------------------------------------------------------------...