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

2,011,361

11.1807

0.0011

11.626

0.003

11.7904

0.0016

112.119

0.013

103.677

0.01

96.013

0.014

1,347.2

0.5

289

2

289

2

null

6

P -1

-P 1

2

- C16 H32 Cl4 N4 Ni2 O9 -

- C32 H64 Cl8 N8 Ni4 O18 -

2

1

QD0003

Sung, Nack-Do; Yun, Ki-Seob; Kim, Jin-Gyu; Suh, Il-Hwan

μ-Aqua-pentaaqua[μ-3,6-bis(6-methyl-2-pyridyl)pyridazine]chlorodinickel(II) trichloride trihydrate

Acta Crystallographica Section C

2,000

56

9

e370

e371

10.1107/S0108270100010507

0.71073

MoKα

0.044

0.032

null

0.08

null

1.033

null

has coordinates,has Fobs

Sung, Nack-Do; Yun, Ki-Seob; Kim, Jin-Gyu; Suh, Il-Hwan μ-Aqua-pentaaqua[μ-3,6-bis(6-methyl-2-pyridyl)pyridazine]chlorodinickel(II) trichloride trihydrate Acta Crystallographica Section C 56(9) (2000) e370-e371

176,760

2020-10-21

18:00:00

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2,011,362

12.369

0.002

7.6809

0.0003

15.332

0.003

90

null

101.842

0.009

90

null

1,425.6

0.4

298

2

298

2

null

4

P 1 21/n 1

-P 2yn

14

4-(2,4,6-Trimethyl)phenylazo(3,5-dimethyl)phenol

- C17 H20 N2 O -

- C68 H80 N8 O4 -

4

1

QD0004

Lynch, Daniel E.; Byriel, Karl A.

3,5-Dimethyl-4-(2,4,6-trimethylphenyldiazenyl)phenol

Acta Crystallographica Section C

2,000

56

9

e400

10.1107/S0108270100010519

0.71073

MoKα

0.073

0.042

null

0.127

null

1.034

null

has coordinates,has Fobs

Lynch, Daniel E.; Byriel, Karl A. 3,5-Dimethyl-4-(2,4,6-trimethylphenyldiazenyl)phenol Acta Crystallographica Section C 56(9) (2000) e400-e400

301,798

2025-08-19

6:41:47

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2,011,363

7.0127

0.0011

12.524

0.002

14.477

0.003

90

null

90

null

90

null

1,271.5

0.4

293

2

293

2

null

5

P c a 21

P 2c -2ac

29

- C14 H8 N2 O4 S -

- C56 H32 N8 O16 S4 -

4

1

QD0005

Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.

2-[2-(5-Nitro-2-thienyl)ethenyl]-4H-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one

Acta Crystallographica Section C

2,000

56

9

e408

e409

10.1107/S010827010001057X

0.71073

MoKα

0.119

0.051

null

0.142

null

0.1

null

0.963

null

1.179

null

has coordinates,has Fobs

Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A. 2-[2-(5-Nitro-2-thienyl)ethenyl]-4H-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one Acta Crystallographica Section C 56(9) (2000) e408-e409

301,798

2025-08-19

6:41:47

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2,011,364

14.627

0.003

7.491

0.002

12.344

0.005

90

null

98.71

0.03

90

null

1,336.9

0.7

213

2

213

2

null

4

C 1 c 1

C -2yc

9

- C16 H10 N2 O4 -

- C64 H40 N8 O16 -

4

1

QD0005

Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.

2-[2-(5-Nitro-2-thienyl)ethenyl]-4H-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one

Acta Crystallographica Section C

2,000

56

9

e408

e409

10.1107/S010827010001057X

0.71073

MoKα

0.149

0.081

null

0.289

null

0.178

null

1.166

null

1.545

null

has coordinates,has Fobs

Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A. 2-[2-(5-Nitro-2-thienyl)ethenyl]-4H-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one Acta Crystallographica Section C 56(9) (2000) e408-e409

301,798

2025-08-19

6:41:47

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2,011,365

6.8484

0.001

7.2348

0.0014

16.806

0.003

93.801

0.015

96.783

0.013

105.321

0.013

793.3

0.2

208

2

208

2

null

4

P -1

-P 1

2

- C18 H14 N2 O6 -

- C36 H28 N4 O12 -

2

1

QD0005

Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A.

2-[2-(5-Nitro-2-thienyl)ethenyl]-4H-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one

Acta Crystallographica Section C

2,000

56

9

e408

e409

10.1107/S010827010001057X

0.71073

MoKα

0.12

0.045

null

0.143

null

0.101

null

1.024

null

1.108

null

has coordinates

Kovalevsky, A. Yu.; Ponomarev, I. I.; Baranova, M. A. 2-[2-(5-Nitro-2-thienyl)ethenyl]-4H-3,1-benzoxazine-4-one, 2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one and 6,7-dimethoxy-2-[2-(4-nitrophenyl)ethenyl]-4H-3,1-benzoxazine-4-one Acta Crystallographica Section C 56(9) (2000) e408-e409

301,798

2025-08-19

6:41:47

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2,011,366

49.542

0.011

10.958

0.003

18.123

0.004

90

null

100.03

0.03

90

null

9,688

4

180

2

180

2

null

5

C 1 2/c 1

-C 2yc

15

trans-Dichlorobis[1,2-ethandiylbis[diphenylphosphane]-P,P']molybdenum

- C54.5 H54 Cl2 Mo P4 -

- C436 H432 Cl16 Mo8 P32 -

8

1

QD0007

Filippou, Alexander, C.; Portius, Peter; Philippopoulos, Athanassios, I.; Kociok-Köhn, Gabriele; Ziemer, Burkhard

Pentane and tetrahydrofuran solvates of trans-dichlorobis[1,2-ethanediylbis(diphenylphosphine)-P,P']molybdenum(II)

Acta Crystallographica Section C

2,000

56

9

e378

e379

10.1107/S010827010001060X

0.71073

MoKα

0.196

0.074

null

0.157

null

0.801

null

has coordinates

Filippou, Alexander, C.; Portius, Peter; Philippopoulos, Athanassios, I.; Kociok-Köhn, Gabriele; Ziemer, Burkhard Pentane and tetrahydrofuran solvates of trans-dichlorobis[1,2-ethanediylbis(diphenylphosphine)-P,P']molybdenum(II) Acta Crystallographica Section C 56(9) (2000) e378-e379

176,435

2020-10-21

18:00:00

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2,011,367

11.3197

0.0011

13.4052

0.0014

17.455

0.002

90

null

96.093

0.011

90

null

2,633.7

0.5

180

2

180

2

null

6

P 1 21/c 1

-P 2ybc

14

trans-Dichlorobis[1,2-ethandiylbis[diphenylphosphane]-P,P']molybdenum

- C60 H64 Cl2 Mo O2 P4 -

- C120 H128 Cl4 Mo2 O4 P8 -

2

0.5

QD0007

Filippou, Alexander, C.; Portius, Peter; Philippopoulos, Athanassios, I.; Kociok-Köhn, Gabriele; Ziemer, Burkhard

Pentane and tetrahydrofuran solvates of trans-dichlorobis[1,2-ethanediylbis(diphenylphosphine)-P,P']molybdenum(II)

Acta Crystallographica Section C

2,000

56

9

e378

e379

10.1107/S010827010001060X

0.71073

MoKα

0.039

0.033

null

0.094

null

1.068

null

has coordinates,has Fobs

Filippou, Alexander, C.; Portius, Peter; Philippopoulos, Athanassios, I.; Kociok-Köhn, Gabriele; Ziemer, Burkhard Pentane and tetrahydrofuran solvates of trans-dichlorobis[1,2-ethanediylbis(diphenylphosphine)-P,P']molybdenum(II) Acta Crystallographica Section C 56(9) (2000) e378-e379

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/2/01/13/2011367.cif $ #-------------------------------------------------------------------...

2,011,368

3.789

0.007

12.2

0.01

14.99

0.02

90

null

94.41

0.01

90

null

690.9

1.7

298

2

298

2

null

5

P 1 21/c 1

-P 2ybc

14

5-Fluoro-2,3-indolinedione

- C8 H4 F N O2 -

- C32 H16 F4 N4 O8 -

4

1

QD0008

Naumov, Pance; Anastasova, Frosa; Drew, Michael G. B.; Ng, Seik Weng

5-Fluoroindoline-2,3-dione

Acta Crystallographica Section C

2,000

56

9

e406

e407

10.1107/S0108270100010568

0.71073

MoKα

0.088

0.053

null

0.166

null

1.074

null

has coordinates

Naumov, Pance; Anastasova, Frosa; Drew, Michael G. B.; Ng, Seik Weng 5-Fluoroindoline-2,3-dione Acta Crystallographica Section C 56(9) (2000) e406-e407

301,798

2025-08-19

6:41:47

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2,011,369

13.46

0.02

8.62

0.01

17.89

0.02

90

null

105.28

0.01

90

null

2,002

4

298

2

298

2

null

5

C 1 2/c 1

-C 2yc

15

Tetrakis(imidazole-N^3^)nickel(II) diacetate

- C16 H22 N8 Ni O4 -

- C64 H88 N32 Ni4 O16 -

4

0.5

QD0009

Naumov, Pance; Ristova, Mirjana; Drew, Michael G. B.; Ng, Seik Weng

Bis(acetato-O)tetrakis(imidazole-N^3^)nickel(II)

Acta Crystallographica Section C

2,000

56

9

e372

e373

10.1107/S0108270100010520

0.71073

MoKα

0.047

0.036

null

0.105

null

1.063

null

has coordinates

Naumov, Pance; Ristova, Mirjana; Drew, Michael G. B.; Ng, Seik Weng Bis(acetato-O)tetrakis(imidazole-N^3^)nickel(II) Acta Crystallographica Section C 56(9) (2000) e372-e373

301,798

2025-08-19

6:41:47

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2,011,370

8.571

0.002

12.102

0.002

10.814

0.002

90

null

91.53

0.02

90

null

1,121.3

0.4

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

Tetraaqua(5-fluoro-uracil-1-acetato-O)-zinc(II) tetrahydrate

- C12 H24 F2 N4 O16 Zn -

- C24 H48 F4 N8 O32 Zn2 -

2

0.5

QD0010

Li, Chang-Zheng; Wang, Liu-Fang; Li, Yi-Zhi; Xia, Chun-Gu; Dai, Rong-Bin

trans-Tetraaquabis(5-fluorouracil-1-acetato-O)zinc(II) tetrahydrate

Acta Crystallographica Section C

2,000

56

9

e376

e377

10.1107/S0108270100010593

0.71073

MoKα

0.032

0.03

null

0.11

null

0.884

null

has coordinates,has Fobs

Li, Chang-Zheng; Wang, Liu-Fang; Li, Yi-Zhi; Xia, Chun-Gu; Dai, Rong-Bin trans-Tetraaquabis(5-fluorouracil-1-acetato-O)zinc(II) tetrahydrate Acta Crystallographica Section C 56(9) (2000) e376-e377

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/2/01/13/2011370.cif $ #-------------------------------------------------------------------...

2,011,371

9.987

0.002

8.451

0.002

14.233

0.003

90

null

90

null

90

null

1,201.3

0.5

193

2

193

2

null

5

P c a 21

P 2c -2ac

29

- C8 H8 Cu N6 O6 -

- C32 H32 Cu4 N24 O24 -

4

1

QD0011

Riggio, Ivonne; Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan

catena-Poly[[bis(nitrato)(pyrimidine)copper(II)]-μ-pyrimidine-N:N']

Acta Crystallographica Section C

2,000

56

9

e380

e381

10.1107/S010827010001101X

0.71073

MoKα

0.031

0.03

null

0.077

null

1.083

null

has coordinates,has Fobs

Riggio, Ivonne; Albada, Gerard A. van; Mutikainen, Ilpo; Turpeinen, Urho; Reedijk, Jan catena-Poly[[bis(nitrato)(pyrimidine)copper(II)]-μ-pyrimidine-N:N'] Acta Crystallographica Section C 56(9) (2000) e380-e381

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/2/01/13/2011371.cif $ #-------------------------------------------------------------------...

2,011,372

7.9539

0.0016

9.5523

0.0019

10.695

0.002

97.61

0.03

110.44

0.03

104.17

0.03

716.7

0.3

298

2

null

5

P -1

-P 1

2

- C14 H14 Br F3 O2 -

- C28 H28 Br2 F6 O4 -

2

1

QD0013

Coles, Simon J.; Hursthouse, Michael B.

3-(4-Bromophenyl)-2-(3,4-dihydro-2H-pyran-5-yl)-1,1,1-trifluoropropan-2-ol

Acta Crystallographica Section C

2,000

56

9

e405

10.1107/S0108270100010556

0.71073

MoKα

null

0.058

null

0.18

null

1.002

null

has coordinates,has Fobs

Coles, Simon J.; Hursthouse, Michael B. 3-(4-Bromophenyl)-2-(3,4-dihydro-2H-pyran-5-yl)-1,1,1-trifluoropropan-2-ol Acta Crystallographica Section C 56(9) (2000) e405-e405

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/2/01/13/2011372.cif $ #-------------------------------------------------------------------...

2,011,373

12.1251

0.001

8.132

0.0005

19.5195

0.0015

90

null

103.23

0.009

90

null

1,873.6

0.3

293

2

293

2

null

3

P 1 21/c 1

-P 2ybc

14

Cesium-tantalum-sulfide

- Cs6 S22 Ta4 -

- Cs12 S44 Ta8 -

2

0.5

QD0016

Stoll, Petra; Näther, Christian; Jeß, Inke; Bensch, Wolfgang

Cs~6~Ta~4~S~22~

Acta Crystallographica Section C

2,000

56

9

e368

e369

10.1107/S0108270100010829

0.71073

MoKα

0.029

0.024

null

0.059

null

1.065

null

has coordinates,has Fobs

Stoll, Petra; Näther, Christian; Jeß, Inke; Bensch, Wolfgang Cs~6~Ta~4~S~22~ Acta Crystallographica Section C 56(9) (2000) e368-e369

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/2/01/13/2011373.cif $ #-------------------------------------------------------------------...

2,011,374

7.162

0.002

15.101

0.004

9.035

0.004

90

null

96.89

0.02

90

null

970.1

0.6

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

trans-[Sn(IV)(C~2~H~4~S~2~)~2~(C~5~H~5~NS)~2~]

trans-bis(ethane-1,2-dithiolato[2-]-S,S~'~)bis(2-mercapto-pyridine)tin(IV)

- C14 H18 N2 S6 Sn -

- C14 H10 N2 S6 Sn -

- C28 H20 N4 S12 Sn2 -

2

0.5

QD0017

Wu, Li-ming; Chen, Ling; Dai, Jingcao; Lin, Ping; Du, Wen-xin; Wu, Xin-tao

trans-Bis[ethane-1,2-dithiolato(2‒)-S,S']bis(2-mercaptopyridine-S)tin(IV)

Acta Crystallographica Section C

2,000

56

9

e382

10.1107/S0108270100011021

0.71073

MoKα

null

0.031

null

0.084

null

1.061

null

has coordinates,has Fobs

Wu, Li-ming; Chen, Ling; Dai, Jingcao; Lin, Ping; Du, Wen-xin; Wu, Xin-tao trans-Bis[ethane-1,2-dithiolato(2‒)-S,S']bis(2-mercaptopyridine-S)tin(IV) Acta Crystallographica Section C 56(9) (2000) e382-e382

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/2/01/13/2011374.cif $ #-------------------------------------------------------------------...

2,011,375

9.778

0.002

10.879

0.002

5.706

0.002

90

null

90

null

90

null

607

0.3

296.2

null

4

P n m a

-P 2ac 2n

62

- C4 H8 N2 O2 -

- C16 H32 N8 O8 -

4

0.5

QD0020

Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro

Methylmalonamide and ethylmalonamide

Acta Crystallographica Section C

2,000

56

9

e411

e412

10.1107/S0108270100010866

0.7107

MoKα

null

0.0404

null

0.1146

null

1.152

null

has coordinates,has Fobs

Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro Methylmalonamide and ethylmalonamide Acta Crystallographica Section C 56(9) (2000) e411-e412

301,798

2025-08-19

6:41:47

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2,011,376

6.57

0.001

9.502

0.001

11.032

0.001

90

null

96.69

0.01

90

null

684.02

0.14

296.2

null

4

P 1 21/n 1

-P 2yn

14

- C5 H10 N2 O2 -

- C20 H40 N8 O8 -

4

1

QD0020

Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro

Methylmalonamide and ethylmalonamide

Acta Crystallographica Section C

2,000

56

9

e411

e412

10.1107/S0108270100010866

0.7107

MoKα

null

0.0509

null

0.1203

null

1.131

null

has coordinates,has Fobs

Sakamoto, Jun; Nakagawa, Takashi; Kanehisa, Nobuko; Kai, Yasushi; Katsura, Masahiro Methylmalonamide and ethylmalonamide Acta Crystallographica Section C 56(9) (2000) e411-e412

301,798

2025-08-19

6:41:47

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2,011,377

12.725

0.004

6.167

0.001

10.228

0.002

90

null

111.98

0.01

90

null

744.3

0.3

173

2

173

2

null

4

P 1 21/c 1

-P 2ybc

14

rac-Dibromosuccinic acid

- C4 H4 Br2 O4 -

- C16 H16 Br8 O16 -

4

1

QD0022

Bolte, Michael; Degen, Alexander

rac-2,3-Dibromosuccinic acid

Acta Crystallographica Section C

2,000

56

9

e410

10.1107/S0108270100010611

0.71073

MoKα

0.035

0.031

null

0.081

null

1.119

null

has coordinates,has Fobs

Bolte, Michael; Degen, Alexander rac-2,3-Dibromosuccinic acid Acta Crystallographica Section C 56(9) (2000) e410-e410

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/13/2011377.cif $ #-------------------------------------------------------------------...

2,011,378

34.992

0.004

6.6249

0.0006

14.651

0.002

90

null

111.751

0.009

90

null

3,154.6

0.7

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

none

Bis(μ3-seleno)(η^5^-cyclopentadienyl)hexacarbonyldiironcobalt

- C11 H5 Co Fe2 O6 Se2 -

- C88 H40 Co8 Fe16 O48 Se16 -

8

1

QD0023

Virovets, Alexander V.; Konchenko, Sergey N.

Redetermination of hexacarbonyl(η^5^-cyclopentadienyl)bis(μ~3~-selenido)diiron(II)cobalt(II)

Acta Crystallographica Section C

2,000

56

9

e383

e384

10.1107/S0108270100011033

0.71069

MoKα

0.105

0.028

null

0.062

null

0.693

null

has coordinates,has Fobs

Virovets, Alexander V.; Konchenko, Sergey N. Redetermination of hexacarbonyl(η^5^-cyclopentadienyl)bis(μ~3~-selenido)diiron(II)cobalt(II) Acta Crystallographica Section C 56(9) (2000) e383-e384

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/2/01/13/2011378.cif $ #-------------------------------------------------------------------...

2,011,379

18.612

0.008

19.807

0.009

11.087

0.005

90

null

95.94

0.03

90

null

4,065

3

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

(6R*,16R*)-9,14-Dihydro-6-methyl-6,16-methano-6H,16H-[2,4]benzo- thiazepino[3,4-d][1,3,5]benzoxadiazocine hydrobromide 0.5 dimethylformamide

- C20.5 H22.5 Br N2.5 O1.5 S -

- C164 H180 Br8 N20 O12 S8 -

8

2

SK1354

Kettmann, Viktor; Svetlik, Jan

(6R*,16R*)-9,14-Dihydro-6-methyl-6,16-methano-6H,16H-[2,4]benzothiazepino[3,4-d][1,3,5]benzoxadiazocine hydrobromide dimethylformamide hemisolvate

Acta Crystallographica Section C

2,000

56

9

1115

1116

10.1107/S0108270100006727

0.71073

MoKα

0.181

0.063

null

0.157

null

0.896

null

has coordinates,has Fobs

Kettmann, Viktor; Svetlik, Jan (6R*,16R*)-9,14-Dihydro-6-methyl-6,16-methano-6H,16H-[2,4]benzothiazepino[3,4-d][1,3,5]benzoxadiazocine hydrobromide dimethylformamide hemisolvate Acta Crystallographica Section C 56(9) (2000) 1115-1116

301,798

2025-08-19

6:41:47

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2,011,380

10.276

0.002

10.276

0.002

30.249

0.004

90

null

90

null

90

null

3,194.2

1

293

2

293

2

null

7

I -4 2 d

I -4 2bw

122

tris(ethylenediamine)-nickel(II)tetrathioantimonate nitrate

tris(ethylenediamine)-nickel(II)tetrathioantimonate nitrate ?

- C12 H48 N13 Ni2 O3 S4 Sb -

- C48 H192 N52 Ni8 O12 S16 Sb4 -

4

0.25

SK1373

Schur, Michael; Bensch, Wolfgang

Bis[tris(1,2-ethanediamine-N,N')nickel(II)] tetrathioantimonate(V) nitrate

Acta Crystallographica Section C

2,000

56

9

1107

1108

10.1107/S0108270100009082

0.71073

MoKα

0.0508

0.031

null

0.0699

null

1

null

has coordinates,has Fobs

Schur, Michael; Bensch, Wolfgang Bis[tris(1,2-ethanediamine-N,N')nickel(II)] tetrathioantimonate(V) nitrate Acta Crystallographica Section C 56(9) (2000) 1107-1108

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/2/01/13/2011380.cif $ #-------------------------------------------------------------------...

2,011,381

6.216

0.002

14.219

0.006

9.342

0.003

90

null

90.91

0.03

90

null

825.6

0.5

293

2

293

2

null

5

P 1 21/a 1

-P 2yab

14

Anilinium hydrogenphosphite

- C6 H10 N O3 P -

- C24 H40 N4 O12 P4 -

4

1

SK1377

Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J.

Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate

Acta Crystallographica Section C

2,000

56

9

1132

1135

10.1107/S0108270100008015

0.71073

MoKα

0.0496

0.0283

null

0.0839

null

1.048

null

has coordinates,has Fobs

Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J. Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate Acta Crystallographica Section C 56(9) (2000) 1132-1135

301,798

2025-08-19

6:41:47

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2,011,382

23.9825

0.0019

5.7253

0.0014

13.891

0.002

90

null

109.34

0.011

90

null

1,799.7

0.5

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

Anilinium hydrogenoxalate monohydrate

- C8 H10 N O4.5 -

- C64 H80 N8 O36 -

8

1

SK1377

Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J.

Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate

Acta Crystallographica Section C

2,000

56

9

1132

1135

10.1107/S0108270100008015

0.71073

MoKα

0.0451

0.0341

null

0.1007

null

1.054

null

has coordinates,has Fobs

Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martin-Gil, J. Two anilinium salts: anilinium hydrogenphosphite and anilinium hydrogenoxalate hemihydrate Acta Crystallographica Section C 56(9) (2000) 1132-1135

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/2/01/13/2011382.cif $ #-------------------------------------------------------------------...

2,011,383

3.9198

0.0001

18.3222

0.0005

7.9352

0.0002

90

null

103.221

0.002

90

null

554.8

0.03

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

2-(Nitromethylene)-1,3-dithietane

- C3 H3 N O2 S2 -

- C12 H12 N4 O8 S8 -

4

1

SK1398

Shanmuga Sundara Raj, S.; Surya Prakash Rao, H.; Sakthikumar, L.; Fun, Hoong-Kun

2-(Nitromethylene)-1,3-dithietane

Acta Crystallographica Section C

2,000

56

9

1113

1114

10.1107/S0108270100009100

0.71073

MoKα

0.0476

0.0384

null

0.0994

null

0.989

null

has coordinates,has Fobs

Shanmuga Sundara Raj, S.; Surya Prakash Rao, H.; Sakthikumar, L.; Fun, Hoong-Kun 2-(Nitromethylene)-1,3-dithietane Acta Crystallographica Section C 56(9) (2000) 1113-1114

301,798

2025-08-19

6:41:47

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2,011,384

6.0851

0.0002

18.346

0.0004

11.3499

0.0006

90

null

94.02

0.003

90

null

1,263.95

0.08

293

2

293

2

null

4

C 1 c 1

C -2yc

9

- C11 H17 N O4 -

- C44 H68 N4 O16 -

4

1

SK1400

Luger, Peter; Weber, Manuela; Szeimies, Günter; Pätzel, Michael

3-(tert-Butyloxycarbonylamino)bicyclo[1.1.1]pentanecarboxylic acid at 293K

Acta Crystallographica Section C

2,000

56

9

1170

1172

10.1107/S0108270100008994

0.71068

MoKα

0.0873

0.0479

null

0.1394

null

1.007

null

has coordinates,has Fobs

Luger, Peter; Weber, Manuela; Szeimies, Günter; Pätzel, Michael 3-(tert-Butyloxycarbonylamino)bicyclo[1.1.1]pentanecarboxylic acid at 293K Acta Crystallographica Section C 56(9) (2000) 1170-1172

201,957

2020-10-21

18:00:00

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2,011,385

4.86

0.003

32.543

0.004

8.538

0.003

90

null

94.79

0.04

90

null

1,345.6

1

153

null

153

null

4

P 1 21/c 1

-P 2ybc

14

- C14 H13 N3 O2 -

- C56 H52 N12 O8 -

4

1

TA1290

Smith, Graham; Bott, Raymond C.; Lynch, Daniel E.

The 1:1 adduct of 4-aminobenzoic acid with 4-aminobenzonitrile

Acta Crystallographica Section C

2,000

56

9

1155

1156

10.1107/S010827010000874X

0.7107

MoKα

null

0.045

null

0.043

null

1.795

null

has coordinates

Smith, Graham; Bott, Raymond C.; Lynch, Daniel E. The 1:1 adduct of 4-aminobenzoic acid with 4-aminobenzonitrile Acta Crystallographica Section C 56(9) (2000) 1155-1156

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/13/2011385.cif $ #-------------------------------------------------------------------...

2,011,386

8.516

0.003

10.915

0.004

13.054

0.006

90

null

95.31

0.01

90

null

1,208.2

0.8

293

2

293

2

null

5

P 1 21/n 1

-P 2yn

14

catena-poly[[Silver(I)-μ-[(E)-1,2-bis(2-pyridyl)ethylene-N:N']]nitrate]

- C12 H10 Ag N3 O3 -

- C48 H40 Ag4 N12 O12 -

4

1

TA1291

Tong, Ming-Liang; Chen, Xiao-Ming

catena-Poly[[silver(I)-μ-[(E)-1,2-bis(2-pyridyl)ethylene-N:N']] nitrate]

Acta Crystallographica Section C

2,000

56

9

1075

1076

10.1107/S0108270100008647

0.71073

MoKα

0.053

0.034

null

0.08

null

1.018

null

has coordinates,has Fobs

Tong, Ming-Liang; Chen, Xiao-Ming catena-Poly[[silver(I)-μ-[(E)-1,2-bis(2-pyridyl)ethylene-N:N']] nitrate] Acta Crystallographica Section C 56(9) (2000) 1075-1076

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/2/01/13/2011386.cif $ #-------------------------------------------------------------------...

2,011,387

14.2386

0.0009

9.4823

0.0007

28.063

0.002

90

null

90

null

90

null

3,788.9

0.5

100

2

100

1

null

6

P n a 21

P 2c -2n

33

trans-Tetrachlorobis(N,N'-dimethylimidazolidine-2-thione)tellurium(IV)

- C10 H20 Cl4 N4 S2 Te -

- C80 H160 Cl32 N32 S16 Te8 -

8

2

AV1048

Husebye, Steinar; Törnroos, Karl W.

trans-Tetrachlorobis(N,N'-dimethylimidazolidine-2-thione)tellurium(IV), a thiourea complex of tellurium with asymmetric Te—S bonds

Acta Crystallographica Section C

2,000

56

10

1242

1244

10.1107/S0108270100009392

0.71073

MoKα

0.029

0.026

null

0.052

null

1.182

null

has coordinates,has Fobs

Husebye, Steinar; Törnroos, Karl W. trans-Tetrachlorobis(N,N'-dimethylimidazolidine-2-thione)tellurium(IV), a thiourea complex of tellurium with asymmetric Te—S bonds Acta Crystallographica Section C 56(10) (2000) 1242-1244

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/2/01/13/2011387.cif $ #-------------------------------------------------------------------...

2,011,388

12.17

0.002

12.934

0.003

14.112

0.003

66.46

0.03

85.71

0.03

79.46

0.03

2,002.1

0.9

293

2

293

2

null

5

P -1

-P 1

2

(μ-2,6-Bis{[(2-hydroxyphenyl)(2-pyridylmethyl)amino]methyl}-4-methylphenolato)- bis[diaquanickel(II)] acetate dimetylformamide 0.75-hydrate

- C38 H48.5 N5 Ni2 O10.75 -

- C76 H97 N10 Ni4 O21.5 -

2

1

BK1519

de Brito, Marcos A.; Bortoluzzi, Adailton J.; Greatti, Alessandra; Ceccato, Augusto S.; Joussef, Antônio C.; Drechsel, Sueli M.

(μ-2,6-Bis{[(2-hydroxyphenyl)(2-pyridylmethyl)amino]methyl}-4-methylphenolato)bis[diaquanickel(II)] acetate dimethylformamide 0.75-hydrate

Acta Crystallographica Section C

2,000

56

10

1188

1190

10.1107/S0108270100009379

0.71073

MoKα

0.07

0.038

null

0.107

null

1.013

null

has coordinates,has Fobs

de Brito, Marcos A.; Bortoluzzi, Adailton J.; Greatti, Alessandra; Ceccato, Augusto S.; Joussef, Antônio C.; Drechsel, Sueli M. (μ-2,6-Bis{[(2-hydroxyphenyl)(2-pyridylmethyl)amino]methyl}-4-methylphenolato)bis[diaquanickel(II)] acetate dimethylformamide 0.75-hydrate Acta Crystallographica Section C 56(10) (2000) 1188-1...

301,798

2025-08-19

6:41:47

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2,011,389

7.4128

0.0007

10.7752

0.001

22.337

0.002

90

null

97.538

0.002

90

null

1,768.7

0.3

297

2

297

2

null

5

P 1 21/n 1

-P 2yn

14

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

- C17 H20 Cl N3 O4 -

- C68 H80 Cl4 N12 O16 -

4

1

BK1527

Sudbeck, Elise A.; Jennissen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M.

An inhibitor of Janus kinase 3: 4-(4-hydroxyphenylamino)-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate

Acta Crystallographica Section C

2,000

56

10

1282

1283

10.1107/S0108270100007496

0.71073

MoKα

0.082

0.048

null

0.12

null

0.99

null

has coordinates,has Fobs

Sudbeck, Elise A.; Jennissen, Jason D.; Liu, Xing-Ping; Uckun, Fatih M. An inhibitor of Janus kinase 3: 4-(4-hydroxyphenylamino)-6,7-dimethoxyquinazolin-1-ium chloride methanol solvate Acta Crystallographica Section C 56(10) (2000) 1282-1283

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/13/2011389.cif $ #-------------------------------------------------------------------...

2,011,390

35.161

0.006

13.763

0.006

18.845

0.003

90

null

119.104

0.012

90

null

7,968

4

130

2

130

2

null

7

C 1 2/c 1

-C 2yc

15

[(TPPBr4)Fe]2O.2CH2Cl2

- C90 H52 Br8 Cl4 Fe2 N8 O -

- C360 H208 Br32 Cl16 Fe8 N32 O4 -

4

0.5

BK1532

Li, Ming; Shang, Maoyu; Duval, Hugues F.; Scheidt, W. Robert

μ-Oxo-bis[(2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrinato)iron(III)] bis(dichloromethane) solvate

Acta Crystallographica Section C

2,000

56

10

1206

1207

10.1107/S0108270100010222

0.71073

MoKα

0.054

0.04

null

0.099

null

1.041

null

has coordinates,has Fobs

Li, Ming; Shang, Maoyu; Duval, Hugues F.; Scheidt, W. Robert μ-Oxo-bis[(2,3,12,13-tetrabromo-5,10,15,20-tetraphenylporphyrinato)iron(III)] bis(dichloromethane) solvate Acta Crystallographica Section C 56(10) (2000) 1206-1207

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/2/01/13/2011390.cif $ #-------------------------------------------------------------------...

2,011,391

22.5868

0.0004

22.5868

0.0004

8.302

0.0001

90

null

90

null

90

null

4,235.38

0.12

150

null

150

null

3

I 41/a :2

-I 4ad

88

4-(hydroxymethyl)phenanthrene

4-phenanthrenemethanol

- C15 H12 O -

- C240 H192 O16 -

16

1

BK1535

Gerkin, Roger E.

Hydrogen bonding and C—H···O interactions in 4-phenanthrenemethanol at 150K

Acta Crystallographica Section C

2,000

56

10

1287

1288

10.1107/S0108270100008039

0.71073

MoKα

null

0.04

null

0.102

null

1.92

null

has coordinates

Gerkin, Roger E. Hydrogen bonding and C—H···O interactions in 4-phenanthrenemethanol at 150K Acta Crystallographica Section C 56(10) (2000) 1287-1288

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/13/2011391.cif $ #-------------------------------------------------------------------...

2,011,392

11.9418

0.0006

15.288

0.0008

19.0307

0.001

90

null

90.915

0.001

90

null

3,473.9

0.3

173

2

173

2

null

5

P 1 21/n 1

-P 2yn

14

Tetrakis(μ-p-hydroxybenzoato-O,O')bis(dimethyl sulfoxide-S)dirhodium(II)- tetrakis(μ-butyrato-O,O')bis(dimethyl sulfoxide-S)dirhodium(II) cocrystal ethanol disolvate

- C56 H84 O26 Rh4 S4 -

- C112 H168 O52 Rh8 S8 -

2

0.5

BK1540

Sveshnikov, Nikolay N.; Dickman, Michael H.; Pope, Michael T.

Bis(dimethyl sulfoxide-S)tetrakis(μ-p-hydroxybenzoato-O:O')dirhodium(II)‒tetrakis(μ-butyrato-O:O')bis(dimethyl sulfoxide-S)dirhodium(II) cocrystal ethanol disolvate

Acta Crystallographica Section C

2,000

56

10

1193

1195

10.1107/S0108270100009756

0.71073

MoKα

0.039

0.03

null

0.079

null

1.02

null

has coordinates,has disorder,has Fobs

Sveshnikov, Nikolay N.; Dickman, Michael H.; Pope, Michael T. Bis(dimethyl sulfoxide-S)tetrakis(μ-p-hydroxybenzoato-O:O')dirhodium(II)‒tetrakis(μ-butyrato-O:O')bis(dimethyl sulfoxide-S)dirhodium(II) cocrystal ethanol disolvate Acta Crystallographica Section C 56(10) (200...

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/2/01/13/2011392.cif $ #-------------------------------------------------------------------...

2,011,393

5.4734

0.0003

11.4048

0.0006

11.52

0.0006

115.478

0.001

95.941

0.001

93.035

0.001

641.88

0.06

295

2

295

2

null

5

P -1

-P 1

2

1-cyano-2-hydroxy-N-[3-(methylsulphonyl)phenyl]but-2-enamide

- C12 H12 N2 O4 S -

- C24 H24 N4 O8 S2 -

2

1

BK1544

Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M.

Three leflunomide metabolite analogs

Acta Crystallographica Section C

2,000

56

10

1254

1257

10.1107/S0108270100009768

0.71073

MoKα

0.04

0.034

null

0.102

null

1.05

null

has coordinates,has Fobs

Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M. Three leflunomide metabolite analogs Acta Crystallographica Section C 56(10) (2000) 1254-1257

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/2/01/13/2011393.cif $ #-------------------------------------------------------------------...

2,011,394

5.2834

0.0004

10.8265

0.0008

13.1634

0.001

69.009

0.001

81.085

0.001

83.238

0.001

692.91

0.09

295

2

295

2

null

6

P -1

-P 1

2

1-cyano-2-hydroxy-N-[3-bromo-4-(trifluromethoxy)phenyl]but-2-enamide

- C12 H8 Br F3 N2 O3 -

- C24 H16 Br2 F6 N4 O6 -

2

1

BK1544

Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M.

Three leflunomide metabolite analogs

Acta Crystallographica Section C

2,000

56

10

1254

1257

10.1107/S0108270100009768

0.71073

MoKα

0.103

0.045

null

0.131

null

1.01

null

has coordinates,has Fobs

Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M. Three leflunomide metabolite analogs Acta Crystallographica Section C 56(10) (2000) 1254-1257

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/2/01/13/2011394.cif $ #-------------------------------------------------------------------...

2,011,395

8.8002

0.001

5.5336

0.0006

25.852

0.003

90

null

97.644

0.001

90

null

1,247.7

0.2

295

2

295

2

null

5

P 1 21/n 1

-P 2yn

14

1-cyano-2-hydroxy-N-[4-(methylsulfonyl)phenyl]but-2-enamide

- C12 H12 N2 O4 S -

- C48 H48 N8 O16 S4 -

4

1

BK1544

Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M.

Three leflunomide metabolite analogs

Acta Crystallographica Section C

2,000

56

10

1254

1257

10.1107/S0108270100009768

0.71073

MoKα

0.051

0.044

null

0.113

null

1.07

null

has coordinates,has Fobs

Ghosh, Sutapa; Jennissen, Jason D.; Zheng, Yaguo; Uckun, Fatih M. Three leflunomide metabolite analogs Acta Crystallographica Section C 56(10) (2000) 1254-1257

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/13/2011395.cif $ #-------------------------------------------------------------------...

2,011,396

4.5907

0.0006

15.975

0.002

11.173

0.0013

90

null

97.187

0.002

90

null

812.95

0.17

173

2

173

2

null

4

P 1 21/c 1

-P 2ybc

14

2,4,6-trichloro-1-isocyanobenzene

- C7 H2 Cl3 N -

- C28 H8 Cl12 N4 -

4

1

BK1548

Pink, Maren; Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J.

2,4,6-Trichlorophenylisonitrile and 2,4,6-trichlorobenzonitrile

Acta Crystallographica Section C

2,000

56

10

1271

1273

10.1107/S0108270100010234

0.71073

MoKα

0.081

0.039

null

0.095

0.083

null

0.93

1.04

null

has coordinates,has Fobs

Pink, Maren; Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J. 2,4,6-Trichlorophenylisonitrile and 2,4,6-trichlorobenzonitrile Acta Crystallographica Section C 56(10) (2000) 1271-1273

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/13/2011396.cif $ #-------------------------------------------------------------------...

2,011,397

3.8742

0.0003

15.8897

0.0013

12.9067

0.0011

90

null

90.975

0.002

90

null

794.42

0.11

173

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2,4,6-trichlorobenzonitrile

- C7 H2 Cl3 N -

- C28 H8 Cl12 N4 -

4

1

BK1548

Pink, Maren; Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J.

2,4,6-Trichlorophenylisonitrile and 2,4,6-trichlorobenzonitrile

Acta Crystallographica Section C

2,000

56

10

1271

1273

10.1107/S0108270100010234

0.71073

MoKα

0.034

0.026

null

0.068

0.066

null

1.08

1.13

null

has coordinates,has Fobs

Pink, Maren; Britton, Doyle; Noland, Wayland E.; Pinnow, Matthew J. 2,4,6-Trichlorophenylisonitrile and 2,4,6-trichlorobenzonitrile Acta Crystallographica Section C 56(10) (2000) 1271-1273

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/13/2011397.cif $ #-------------------------------------------------------------------...

2,011,398

10.45

0.003

6.623

0.003

14.828

0.004

90

null

103.31

0.03

90

null

998.7

0.6

293

2

293

2

null

7

C 1 2 1

C 2y

5

Chloramine-B

- C6 H8 Cl N Na O3.5 S -

- C24 H32 Cl4 N4 Na4 O14 S4 -

4

1

BM1403

George, Elizabeth; Vivekanandan, Subramania; Sivakumar, Kandasamy

Chloramine-B sesquihydrate

Acta Crystallographica Section C

2,000

56

10

1208

1209

10.1107/S0108270100007617

0.71073

MoKα

0.038

0.0345

null

0.0795

null

1.146

null

has coordinates,has Fobs

George, Elizabeth; Vivekanandan, Subramania; Sivakumar, Kandasamy Chloramine-B sesquihydrate Acta Crystallographica Section C 56(10) (2000) 1208-1209

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/13/2011398.cif $ #-------------------------------------------------------------------...

2,011,399

16.224

0.002

15.523

0.003

19.061

0.004

90

null

99.25

0.01

90

null

4,738

1.5

120

2

120

2

null

4

P 1 21/n 1

-P 2yn

14

rhodamine B

3,6-bis(diethylamino)-1',3'-dihydrospiro[xanthene-9,3'-isobenzofuran]-1'-one

- C28 H30 N2 O3 -

- C28 H28.211 N2 O3 -

- C224 H225.688 N16 O24 -

8

2

BM1410

Kvick, Åke; Vaughan, Gavin B. M.; Wang, Xiqing; Sun, Yuan; Long, Yingcai

A synchrotron-radiation study of the lactone form of rhodamine B at 120K

Acta Crystallographica Section C

2,000

56

10

1232

1233

10.1107/S0108270100008404

0.496

synchrotron

0.089

0.058

null

0.151

null

0.88

null

has coordinates,has Fobs

Kvick, Åke; Vaughan, Gavin B. M.; Wang, Xiqing; Sun, Yuan; Long, Yingcai A synchrotron-radiation study of the lactone form of rhodamine B at 120K Acta Crystallographica Section C 56(10) (2000) 1232-1233

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/2/01/13/2011399.cif $ #-------------------------------------------------------------------...

2,011,400

11.47

0.003

9.966

0.006

16.023

0.001

90

null

90

null

90

null

1,831.6

1.2

100

2

100

2

null

4

P b c a

-P 2ac 2ab

61

DL-Arginine

DL-2-amino-5-guanidovaleric acid

- C6 H16 N4 O3 -

- C48 H128 N32 O24 -

8

1

BM1417

Kingsford-Adaboh, Robert; Grosche, Manja; Dittrich, Birger; Luger, Peter

DL-Arginine monohydrate at 100K

Acta Crystallographica Section C

2,000

56

10

1274

1276

10.1107/S0108270100010325

0.71073

MoKα

0.0346

0.0344

null

0.0796

null

1.121

null

has coordinates

Kingsford-Adaboh, Robert; Grosche, Manja; Dittrich, Birger; Luger, Peter DL-Arginine monohydrate at 100K Acta Crystallographica Section C 56(10) (2000) 1274-1276

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011400.cif $ #-------------------------------------------------------------------...

2,011,401

9.124

0.001

26.061

0.003

7.328

0.001

90

null

90

null

90

null

1,742.5

0.4

150

2

150

2

null

4

P c c n

-P 2ab 2ac

56

2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine

- C22 H20 N2 O2 -

- C88 H80 N8 O8 -

4

0.5

BM1420

Scaccianoce, Laura; Feeder, Neil; Teat, Simon J.; Marseglia, Elisabeth A.; Grimsdale, Andrew C.; Holmes, Andrew B.

A synchrotron diffraction study of two polymorphic forms of 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine

Acta Crystallographica Section C

2,000

56

10

1277

1279

10.1107/S0108270100010337

0.6891

synchrotron

0.075

0.057

null

0.138

null

1.12

null

has coordinates,has Fobs

Scaccianoce, Laura; Feeder, Neil; Teat, Simon J.; Marseglia, Elisabeth A.; Grimsdale, Andrew C.; Holmes, Andrew B. A synchrotron diffraction study of two polymorphic forms of 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine Acta Crystallographica Section C 56(10) (2000) 1277-1279

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011401.cif $ #-------------------------------------------------------------------...

2,011,402

32.339

0.006

5.732

0.001

9.411

0.002

90

null

102.815

0.004

90

null

1,701

0.6

150

2

150

2

null

4

C 1 2/c 1

-C 2yc

15

2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine

- C22 H20 N2 O2 -

- C88 H80 N8 O8 -

4

0.5

BM1420

Scaccianoce, Laura; Feeder, Neil; Teat, Simon J.; Marseglia, Elisabeth A.; Grimsdale, Andrew C.; Holmes, Andrew B.

A synchrotron diffraction study of two polymorphic forms of 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine

Acta Crystallographica Section C

2,000

56

10

1277

1279

10.1107/S0108270100010337

0.6891

synchrotron

0.064

0.049

null

0.141

null

1.089

null

has coordinates,has Fobs

Scaccianoce, Laura; Feeder, Neil; Teat, Simon J.; Marseglia, Elisabeth A.; Grimsdale, Andrew C.; Holmes, Andrew B. A synchrotron diffraction study of two polymorphic forms of 2,5-bis[2-(4-methoxyphenyl)ethenyl]pyrazine Acta Crystallographica Section C 56(10) (2000) 1277-1279

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011402.cif $ #-------------------------------------------------------------------...

2,011,403

8.614

0.002

19.363

0.004

12.473

0.003

90

null

95.59

0.03

90

null

2,070.5

0.8

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

- C36 H44 Ca N2 O12 Zn2 -

- C72 H88 Ca2 N4 O24 Zn4 -

2

0.5

BM1424

Cui, Yong; Zhang, Xing; Zheng, Fakun; Ren, Jing; Chen, Gang; Qian, Yitai; Huang, Jinshun

Two mixed-metal carboxylate‒base adducts

Acta Crystallographica Section C

2,000

56

10

1198

1200

10.1107/S0108270100009999

0.71073

MoKα

0.062

0.05

null

0.155

null

1.149

null

has coordinates,has disorder,has Fobs

Cui, Yong; Zhang, Xing; Zheng, Fakun; Ren, Jing; Chen, Gang; Qian, Yitai; Huang, Jinshun Two mixed-metal carboxylate‒base adducts Acta Crystallographica Section C 56(10) (2000) 1198-1200

203,567

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-11-25 04:38:28 +0200 (Sat, 25 Nov 2017) $ #$Revision: 203567 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/14/2011403.cif $ #-------------------------------------------------------------------...

2,011,404

20.571

0.0005

13.9851

0.0003

18.8102

0.0004

90

null

103.814

0.007

90

null

5,254.9

0.3

293

2

293

2

null

6

C 1 2/c 1

-C 2yc

15

- C48 H68 Ca Co2 N2 O12 -

- C192 H272 Ca4 Co8 N8 O48 -

4

0.5

BM1424

Cui, Yong; Zhang, Xing; Zheng, Fakun; Ren, Jing; Chen, Gang; Qian, Yitai; Huang, Jinshun

Two mixed-metal carboxylate‒base adducts

Acta Crystallographica Section C

2,000

56

10

1198

1200

10.1107/S0108270100009999

0.71073

MoKα

0.099

0.062

null

0.135

null

1.087

null

has coordinates,has Fobs

Cui, Yong; Zhang, Xing; Zheng, Fakun; Ren, Jing; Chen, Gang; Qian, Yitai; Huang, Jinshun Two mixed-metal carboxylate‒base adducts Acta Crystallographica Section C 56(10) (2000) 1198-1200

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/2/01/14/2011404.cif $ #-------------------------------------------------------------------...

2,011,405

6.2757

0.0013

8.026

0.002

8.09

0.002

90.37

0.03

107.03

0.03

90.86

0.03

389.55

0.17

203

2

203

2

null

4

P -1

-P 1

2

Barium hydroxyde iodide tetra-hydrate

Tetraaquabarium hydroxide iodide

- Ba H9 I O5 -

- Ba2 H18 I2 O10 -

2

1

BR1264

Fromm, Katharina M.; Goesmann, Helmut

On the way to sol‒gels: an analysis of the intra- and intermolecular hydrogen bonding in [Ba(OH)I(H~2~O)~4~]

Acta Crystallographica Section C

2,000

56

10

1179

1180

10.1107/S0108270100009586

0.71073

MoKa

0.017

0.016

null

0.039

null

0.039

null

1.164

null

1.169

null

has coordinates

Fromm, Katharina M.; Goesmann, Helmut On the way to sol‒gels: an analysis of the intra- and intermolecular hydrogen bonding in [Ba(OH)I(H~2~O)~4~] Acta Crystallographica Section C 56(10) (2000) 1179-1180

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/2/01/14/2011405.cif $ #-------------------------------------------------------------------...

2,011,406

8.121

0.001

8.121

0.001

13.672

0.003

90

null

90

null

90

null

901.7

0.3

293

2

293

2

null

4

P 4/n b m :2

-P 4a 2b

125

Potassium sodium tin selenide

- K3 Na Se8 Sn3 -

- K6 Na2 Se16 Sn6 -

2

0.125

BR1296

Chen, Xuean; Huang, Xiaoying; Li, Jing

Potassium sodium tin selenide, K~3~NaSn~3~Se~8~

Acta Crystallographica Section C

2,000

56

10

1181

1182

10.1107/S0108270100010106

0.71073

MoKα

0.046

0.029

null

0.071

null

1.228

null

has coordinates,has Fobs

Chen, Xuean; Huang, Xiaoying; Li, Jing Potassium sodium tin selenide, K~3~NaSn~3~Se~8~ Acta Crystallographica Section C 56(10) (2000) 1181-1182

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/2/01/14/2011406.cif $ #-------------------------------------------------------------------...

2,011,407

10.7358

0.001

15.8301

0.0012

13.4377

0.0008

90

null

110.482

0.006

90

null

2,139.3

0.3

293

null

293

null

5

P 1 21/n 1

-P 2yn

14

- C25 H18 N2 O2 S2 -

- C100 H72 N8 O8 S8 -

4

1

DA1140

Boryczka, Stanisław; Schreurs, Antoine M. M.; Kroon, Jan; Steiner, Thomas

Bis(4-propargyloxy-3-quinolylthio)methane

Acta Crystallographica Section C

2,000

56

10

1234

1235

10.1107/S0108270100008611

0.71073

MoKα

0.0709

0.0476

null

0.1051

null

1.104

null

has coordinates,has Fobs

Boryczka, Stanisław; Schreurs, Antoine M. M.; Kroon, Jan; Steiner, Thomas Bis(4-propargyloxy-3-quinolylthio)methane Acta Crystallographica Section C 56(10) (2000) 1234-1235

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011407.cif $ #-------------------------------------------------------------------...

2,011,408

7.4077

0.0011

22.064

0.003

11.585

0.002

90

null

90

null

90

null

1,893.5

0.5

293

2

293

2

null

5

P n m a

-P 2ac 2n

62

Ni(t-salpd)

- C19 H24 N2 Ni O6 -

- C76 H96 N8 Ni4 O24 -

4

0.5

DA1141

Gomes, Ligia; Sousa, Carla; Freire, Cristina; de Castro, Baltazar

Diaqua{6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne-N)]diphenolato-O,O'}nickel(II)

Acta Crystallographica Section C

2,000

56

10

1201

1203

10.1107/S010827010001009X

0.71073

MoKα

0.049

0.037

null

0.105

null

0.093

null

1.05

null

1.1

null

has coordinates,has Fobs

Gomes, Ligia; Sousa, Carla; Freire, Cristina; de Castro, Baltazar Diaqua{6,6'-dimethoxy-2,2'-[propane-1,3-diylbis(nitrilomethylidyne-N)]diphenolato-O,O'}nickel(II) Acta Crystallographica Section C 56(10) (2000) 1201-1203

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011408.cif $ #-------------------------------------------------------------------...

2,011,409

8.221

0.001

9.223

0.001

9.483

0.001

109.144

0.002

101.536

0.002

114.01

0.002

572.3

0.11

298

2

null

6

P -1

-P 1

2

diaquabis[bis(pyrazol-1-yl-κN^2^)methane]copper(II) diperchlorate

- C14 H20 Cl2 Cu N8 O10 -

1

0.5

DE1144

Zhang, Lei; Du, Miao; Tang, Liang-Fu; Leng, Xue-Bing; Wang, Zhi-Hong

A novel three-dimensional copper(II) network via hydrogen bonds: diaquabis[bis(pyrazol-1-yl-κN^2^)methane]copper(II) diperchlorate

Acta Crystallographica Section C

2,000

56

10

1210

1212

10.1107/S0108270100009434

0.71073

MoKα

null

0.042

null

0.124

null

1.019

null

has coordinates,has Fobs

Zhang, Lei; Du, Miao; Tang, Liang-Fu; Leng, Xue-Bing; Wang, Zhi-Hong A novel three-dimensional copper(II) network via hydrogen bonds: diaquabis[bis(pyrazol-1-yl-κN^2^)methane]copper(II) diperchlorate Acta Crystallographica Section C 56(10) (2000) 1210-1212

301,798

2025-08-19

6:41:47

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2,011,410

5.37

0.005

8.971

0.008

9.92

0.009

90

null

90

null

90

null

477.9

0.8

163

2

163

2

null

3

P 21 21 21

P 2ac 2ab

19

3-Hydroxycyclopent-2-enone

- C5 H6 O2 -

- C20 H24 O8 -

4

1

DE1148

Gerrard, Juliet A.; Meade, Susie J.; Morris, Jonathan C.; Steel, Peter J.

Two crystalline modifications of 2-hydroxycyclopent-2-enone

Acta Crystallographica Section C

2,000

56

10

1251

1253

10.1107/S0108270100009550

0.71073

MoKα

0.0451

0.0315

null

0.0697

null

0.977

null

has coordinates,has Fobs

Gerrard, Juliet A.; Meade, Susie J.; Morris, Jonathan C.; Steel, Peter J. Two crystalline modifications of 2-hydroxycyclopent-2-enone Acta Crystallographica Section C 56(10) (2000) 1251-1253

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011410.cif $ #-------------------------------------------------------------------...

2,011,411

9.1

0.007

10.761

0.008

10.124

0.007

90

null

106.491

0.011

90

null

950.6

1.2

163

2

163

2

null

3

P 1 21/n 1

-P 2yn

14

3-Hydroxycyclopent-2-enone

- C5 H6 O2 -

- C40 H48 O16 -

8

2

DE1148

Gerrard, Juliet A.; Meade, Susie J.; Morris, Jonathan C.; Steel, Peter J.

Two crystalline modifications of 2-hydroxycyclopent-2-enone

Acta Crystallographica Section C

2,000

56

10

1251

1253

10.1107/S0108270100009550

0.71073

MoKα

0.0937

0.0434

null

0.1151

null

0.914

null

has coordinates,has Fobs

Gerrard, Juliet A.; Meade, Susie J.; Morris, Jonathan C.; Steel, Peter J. Two crystalline modifications of 2-hydroxycyclopent-2-enone Acta Crystallographica Section C 56(10) (2000) 1251-1253

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011411.cif $ #-------------------------------------------------------------------...

2,011,412

16.124

0.002

16.371

0.002

17.766

0.001

81.676

0.003

66.289

0.002

80.05

0.003

4,214.4

0.8

100

2

100

2

null

5

P -1

-P 1

2

Trimetrexate

2,4-diamino-5-methyl-6-[(3,4,5-trimethoxyanilino)methyl]quinazoline

- C80 H110 N20 O17 S2 -

- C160 H220 N40 O34 S4 -

2

1

FG1597

Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur

The antifolate trimetrexate: observation of the enzyme-binding conformation

Acta Crystallographica Section C

2,000

56

10

1225

1227

10.1107/S0108270100008349

0.71073

MoKα

0.198

0.065

null

0.168

null

0.877

null

has coordinates,has Fobs

Hempel, Andrew; Camerman, Norman; Mastropaolo, Donald; Camerman, Arthur The antifolate trimetrexate: observation of the enzyme-binding conformation Acta Crystallographica Section C 56(10) (2000) 1225-1227

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011412.cif $ #-------------------------------------------------------------------...

2,011,413

13.532

0.003

15.223

0.005

12.755

0.003

101.98

0.02

106.91

0.02

83.71

0.02

2,455.7

1.2

210

2

210

2

null

7

P -1

-P 1

2

- C72 H56 B2 Cl2 F40 Ga12 O16 -

- C72 H56 B2 Cl1.99 F40 Ga12 O16 -

1

0.5

FG1603

Swenson, Dale C.; Dagorne, Samuel; Jordan, Richard F.

A dicationic gallium‒oxo‒hydroxide cage compound

Acta Crystallographica Section C

2,000

56

10

1213

1215

10.1107/S0108270100009902

0.71073

MoKα

0.132

0.056

null

0.122

null

1.11

null

has coordinates,has disorder,has Fobs

Swenson, Dale C.; Dagorne, Samuel; Jordan, Richard F. A dicationic gallium‒oxo‒hydroxide cage compound Acta Crystallographica Section C 56(10) (2000) 1213-1215

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/2/01/14/2011413.cif $ #-------------------------------------------------------------------...

2,011,414

8.268

0.004

17.802

0.007

14.707

0.008

90

null

93.32

0.02

90

null

2,161

1.8

301

null

298

null

4

P 1 21/c 1

-P 2ybc

14

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

- C21 H27 N O6 -

- C84 H108 N4 O24 -

4

1

FR1251

Sara K. Metcalf; Elizabeth M. Holt

Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds

Acta Crystallographica Section C

2,000

56

10

1228

1231

10.1107/S0108270100008416

0.71073

MoKα

0.186

0.071

null

0.25

null

1.01

null

has coordinates,has Fobs

Sara K. Metcalf; Elizabeth M. Holt Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds Acta Crystallographica Section C 56(10) (2000) 1228-1231

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/2/01/14/2011414.cif $ #-------------------------------------------------------------------...

2,011,415

8.462

0.006

7.637

0.006

33.44

0.02

90

null

94.48

0.02

90

null

2,154

3

301

null

298

null

4

P 1 21/n 1

-P 2yn

14

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

- C21 H27 N O6 -

- C84 H108 N4 O24 -

4

1

FR1251

Sara K. Metcalf; Elizabeth M. Holt

Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds

Acta Crystallographica Section C

2,000

56

10

1228

1231

10.1107/S0108270100008416

0.71073

MoKα

0.195

0.085

null

0.263

null

1.01

null

has coordinates,has Fobs

Sara K. Metcalf; Elizabeth M. Holt Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds Acta Crystallographica Section C 56(10) (2000) 1228-1231

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/2/01/14/2011415.cif $ #-------------------------------------------------------------------...

2,011,416

8.714

0.008

16.167

0.014

16.948

0.014

90

null

90

null

90

null

2,388

4

301

null

298

null

4

P 21 21 21

P 2ac 2ab

19

4-(3,4,5-trimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-bis(ethoxyca rbonyl) (III)

- C22 H29 N O7 -

- C88 H116 N4 O28 -

4

1

FR1251

Sara K. Metcalf; Elizabeth M. Holt

Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds

Acta Crystallographica Section C

2,000

56

10

1228

1231

10.1107/S0108270100008416

0.71073

MoKα

0.125

0.069

null

0.22

null

1

null

has coordinates,has Fobs

Sara K. Metcalf; Elizabeth M. Holt Three methoxy-substituted diethyl 4-phenyl-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate compounds Acta Crystallographica Section C 56(10) (2000) 1228-1231

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/2/01/14/2011416.cif $ #-------------------------------------------------------------------...

2,011,417

9.1099

0.0007

15.9279

0.0015

20.5073

0.0019

90

null

100.445

0.002

90

null

2,926.3

0.4

193

2

193

2

null

7

P 1 21/n 1

-P 2yn

14

Astemizole tetrachlorocuprate(II)

1-[(4-Fluorophenyl)methyl]-N-{1-[2-(4-methoxyphenyl)ethyl]-4-piperidin-4-yl}- 1H-benzimidazol-2-ammonium tetrachloro copper(II).

- C28 H33 Cl4 Cu F N4 O -

- C112 H132 Cl16 Cu4 F4 N16 O4 -

4

1

FR1280

Parvez, Masood; Braitenbach, Kristin

Astemizole tetrachlorocuprate(II)

Acta Crystallographica Section C

2,000

56

10

1216

1217

10.1107/S0108270100007733

0.71073

MoKα

0.142

0.051

null

0.101

null

0.81

null

has coordinates,has disorder,has Fobs

Parvez, Masood; Braitenbach, Kristin Astemizole tetrachlorocuprate(II) Acta Crystallographica Section C 56(10) (2000) 1216-1217

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/2/01/14/2011417.cif $ #-------------------------------------------------------------------...

2,011,418

10.4286

0.0002

9.1195

0.0002

11.3748

0.0002

90

null

112.299

0.0011

90

null

1,000.88

0.03

150

null

150

null

4

P 1 21/n 1

-P 2yn

14

N-(2-hydroxy-1,1-dimethylethyl)benzamide

- C11 H15 N O2 -

- C44 H60 N4 O8 -

4

1

FR1281

Gerkin, Roger E.

Hydrogen bonds and C—H···O interactions in N-(2-hydroxy-1,1-dimethylethyl)benzamide at 150K

Acta Crystallographica Section C

2,000

56

10

1218

1219

10.1107/S0108270100007629

0.71073

MoKα

null

0.038

null

0.098

null

1.97

null

has coordinates,has Fobs

Gerkin, Roger E. Hydrogen bonds and C—H···O interactions in N-(2-hydroxy-1,1-dimethylethyl)benzamide at 150K Acta Crystallographica Section C 56(10) (2000) 1218-1219

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011418.cif $ #-------------------------------------------------------------------...

2,011,419

8.3604

0.0002

8.1567

0.0001

19.1388

0.0004

90

null

95.467

0.001

90

null

1,299.2

0.04

150

null

150

null

2

P 1 21/c 1

-P 2ybc

14

2,4,5,7-tetramethylphenanthrene#

- C18 H18 -

- C72 H72 -

4

1

FR1287

Gerkin, Roger E.

2,4,5,7-Tetramethylphenanthrene at 150K

Acta Crystallographica Section C

2,000

56

10

1220

1221

10.1107/S010827010000843X

0.71073

MoKα

null

0.043

null

0.096

null

1.92

null

has coordinates

Gerkin, Roger E. 2,4,5,7-Tetramethylphenanthrene at 150K Acta Crystallographica Section C 56(10) (2000) 1220-1221

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/2/01/14/2011419.cif $ #-------------------------------------------------------------------...

2,011,420

16.8468

0.0003

37.3753

0.0007

13.8418

0.0003

90

null

90

null

90

null

8,715.5

0.3

150

null

150

null

3

P n n a

-P 2a 2bc

52

2-[1-(1-naphthyl)ethyl]benzoic acid

- C19 H16 O2 -

- C456 H384 O48 -

24

3

FR1289

Gerkin, Roger E.

Hydrogen bonding and C—H···O interactions in 2-[1-(1-naphthyl)ethyl]benzoic acid at 150K

Acta Crystallographica Section C

2,000

56

10

1222

1224

10.1107/S0108270100009781

0.71073

MoKα

null

0.055

null

0.076

null

1.67

null

has coordinates,has Fobs

Gerkin, Roger E. Hydrogen bonding and C—H···O interactions in 2-[1-(1-naphthyl)ethyl]benzoic acid at 150K Acta Crystallographica Section C 56(10) (2000) 1222-1224

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/2/01/14/2011420.cif $ #-------------------------------------------------------------------...

2,011,421

6.7449

0.0008

9.8755

0.0013

13.878

0.002

81.586

0.01

86.189

0.01

88.519

0.009

912.3

0.2

293

2

293

2

null

3

P -1

-P 1

2

5-oxocyclooctanecarboxylic acid

- C9 H14 O3 -

- C36 H56 O12 -

4

2

FR1293

Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W.

5-Oxocyclooctanecarboxylic acid: hydrogen-bonding pattern and conformational disorder in a medium-ring ε-keto acid

Acta Crystallographica Section C

2,000

56

10

1260

1262

10.1107/S0108270100009793

0.71073

MoKα

0.107

0.067

null

0.178

null

1.02

null

has coordinates,has disorder,has Fobs

Lalancette, Roger A.; Brunskill, Andrew P. J.; Thompson, Hugh W. 5-Oxocyclooctanecarboxylic acid: hydrogen-bonding pattern and conformational disorder in a medium-ring ε-keto acid Acta Crystallographica Section C 56(10) (2000) 1260-1262

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/2/01/14/2011421.cif $ #-------------------------------------------------------------------...

2,011,422

22.195

0.006

5.2607

0.0013

25.413

0.003

90

null

98.938

0.015

90

null

2,931.2

1.1

293

2

293

2

null

4

C 1 2/c 1

-C 2yc

15

benzyl 2-carboxy-3-ethyl-4-methylpyrrole-5-carboxylate

- C16 H17 N O4 -

- C128 H136 N8 O32 -

8

1

GD1110

Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rocha Gonsalves, A. M. d'A.

Benzyl 5-carboxy-4-ethyl-3-methylpyrrole-2-carboxylate

Acta Crystallographica Section C

2,000

56

10

1263

1264

10.1107/S010827010000980X

0.71073

MoKα

0.138

0.041

null

0.129

null

0.964

null

has coordinates,has Fobs

Ramos Silva, M.; Matos Beja, A.; Paixao, J. A.; Alte da Veiga, L.; Sobral, A. J. F. N.; Rocha Gonsalves, A. M. d'A. Benzyl 5-carboxy-4-ethyl-3-methylpyrrole-2-carboxylate Acta Crystallographica Section C 56(10) (2000) 1263-1264

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/2/01/14/2011422.cif $ #-------------------------------------------------------------------...

2,011,423

28.945

0.003

6.5473

0.0009

27.526

0.002

90

null

117.622

0.007

90

null

4,621.9

0.9

294

2

294

2

null

6

C 1 2 1

C 2y

5

DSI(Diaryl Sulfonyl Imidazolone)

[(S)-(+)-4-Phenyl-1-[1-(4-aminobenzoyl)indoline-5-sulfonyl]-4,5-dihydro- 2-imidazolone] 0.5-hydrochloride

- C48 H45 Cl N8 O8 S2 -

- C192 H180 Cl4 N32 O32 S8 -

4

1

GG1010

Park, Kyung-Lae; Moon, Byoung-Gi; Jung, Sang-Hun; Kim, Jin-Gyu; Suh, Il-Hwan

Multicentre hydrogen bonds in a 2:1 arylsulfonylimidazolone hydrochloride salt

Acta Crystallographica Section C

2,000

56

10

1247

1250

10.1107/S0108270100009495

0.71069

MoKα

0.082

0.048

null

0.116

null

1.018

null

has coordinates,has Fobs

Park, Kyung-Lae; Moon, Byoung-Gi; Jung, Sang-Hun; Kim, Jin-Gyu; Suh, Il-Hwan Multicentre hydrogen bonds in a 2:1 arylsulfonylimidazolone hydrochloride salt Acta Crystallographica Section C 56(10) (2000) 1247-1250

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011423.cif $ #-------------------------------------------------------------------...

2,011,424

14.934

0.001

10.115

0.001

15.74

0.001

90

null

113.049

0.005

90

null

2,187.8

0.3

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

terbogrel

E-6-[4-(3-tert-butyl-2-cyanoguanidino)phenyl]-6-(3-pyridyl)hex-5-enoic acid

- C23 H27 N5 O2 -

- C92 H108 N20 O8 -

4

1

GS1099

Michaux, Catherine; Norberg, Bernadette; Dogné , Jean-Michel; Durant, François; Masereel, Bernard; Delarge, Jacques; Wouters, Johan

Terbogrel, a dual-acting agent for thromboxane receptor antagonism and thromboxane synthase inhibition

Acta Crystallographica Section C

2,000

56

10

1265

1266

10.1107/S0108270100009872

1.54178

CuKα

0.047

0.036

null

0.105

null

1.047

null

has coordinates,has Fobs

Michaux, Catherine; Norberg, Bernadette; Dogné , Jean-Michel; Durant, François; Masereel, Bernard; Delarge, Jacques; Wouters, Johan Terbogrel, a dual-acting agent for thromboxane receptor antagonism and thromboxane synthase inhibition Acta Crystallographica Section C 56(10) (2000) 1265-1266

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011424.cif $ #-------------------------------------------------------------------...

2,011,425

13.8976

0.0001

7.5553

0.0001

17.3704

0.0002

90

null

97.947

0.001

90

null

1,806.39

0.03

133

null

133

null

5

P 1 21/n 1

-P 2yn

14

- C26 H40 Cl6 N12 Si2 -

- C52 H80 Cl12 N24 Si4 -

2

0.5

JZ1418

Hensen, Karl; Spangenberg, Björn; Bolte, Michael

The addition-reaction product of 1,1,1,4,4,4-hexachloro-1,4-disilabutane with N-methylimidazole

Acta Crystallographica Section C

2,000

56

10

1245

1246

10.1107/S0108270100009471

0.71073

MoKα

0.0637

0.041

null

0.0847

0.0774

0.0847

null

1.078

null

1.078

null

has coordinates,has Fobs

Hensen, Karl; Spangenberg, Björn; Bolte, Michael The addition-reaction product of 1,1,1,4,4,4-hexachloro-1,4-disilabutane with N-methylimidazole Acta Crystallographica Section C 56(10) (2000) 1245-1246

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011425.cif $ #-------------------------------------------------------------------...

2,011,426

11.6811

0.0002

9.8679

0.0002

11.13

0.0002

90

null

93.482

0.001

90

null

1,280.56

0.04

133

2

133

2

null

5

C 1 2 1

C 2y

5

- C7 H9 Br4 N Ti -

- C28 H36 Br16 N4 Ti4 -

4

1

JZ1419

Hensen, Karl; Lemke, Alexander; Bolte, Michael

Tetrabromo(2,6-dimethylpyridine-N)titanium(IV), a twinned crystal structure

Acta Crystallographica Section C

2,000

56

10

1196

1197

10.1107/S0108270100009811

0.71073

MoKα

0.04

0.034

null

0.068

null

1.002

null

has coordinates,has Fobs

Hensen, Karl; Lemke, Alexander; Bolte, Michael Tetrabromo(2,6-dimethylpyridine-N)titanium(IV), a twinned crystal structure Acta Crystallographica Section C 56(10) (2000) 1196-1197

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/2/01/14/2011426.cif $ #-------------------------------------------------------------------...

2,011,427

10.1311

0.0003

12.2128

0.0004

14.3972

0.0005

82.423

0.002

80.855

0.003

82.344

0.002

1,731.85

0.1

150

0.1

150

0.1

null

5

P -1

-P 1

2

η(1‒5)-4-ferrocenyl-1,2,5,6-tetrakis(trimethylsilyl)cyclohexa-2,4-dien-1-yl- (η^5^-cyclopentadienyl)titanium(II)

- C33 H52 Fe Si4 Ti -

- C66 H104 Fe2 Si8 Ti2 -

2

1

JZ1420

Štěpnička, Petr; Císařová, Ivana; Horáček, Michal; Mach, Karel

A ferrocenyl-substituted pseudotitanocene complex

Acta Crystallographica Section C

2,000

56

10

1204

1205

10.1107/S0108270100010167

0.71073

MoKα

0.06

0.045

null

0.113

null

1.069

null

has coordinates,has Fobs

Štěpnička, Petr; Císařová, Ivana; Horáček, Michal; Mach, Karel A ferrocenyl-substituted pseudotitanocene complex Acta Crystallographica Section C 56(10) (2000) 1204-1205

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/2/01/14/2011427.cif $ #-------------------------------------------------------------------...

2,011,428

19.7221

0.0009

4.8605

0.0002

10.2699

0.0005

90

null

97.121

0.001

90

null

976.87

0.08

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

trans-cis S-Benzyl dithiocarbazate

- C8 H10 N2 S2 -

- C32 H40 N8 S8 -

4

1

NA1480

Shanmuga Sundara Raj, S.; Yamin, Bohari M.; Boshaala, Ahmed M. A.; Tarafder, M. T. H.; Fun, Hoong-Kun

trans–cis S-Benzyl dithiocarbazate

Acta Crystallographica Section C

2,000

56

10

1236

1237

10.1107/S0108270100009276

0.71073

MoKα

0.075

0.06

null

0.113

null

0.976

null

has coordinates,has Fobs

Shanmuga Sundara Raj, S.; Yamin, Bohari M.; Boshaala, Ahmed M. A.; Tarafder, M. T. H.; Fun, Hoong-Kun trans–cis S-Benzyl dithiocarbazate Acta Crystallographica Section C 56(10) (2000) 1236-1237

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011428.cif $ #-------------------------------------------------------------------...

2,011,429

8.553

0.005

13.127

0.003

11.819

0.003

106.21

0.02

82.77

0.03

99.72

0.03

1,251.6

0.9

293

2

293

2

null

7

P -1

-P 1

2

[K(DB18C6)]~2~[Pt(SCN)~4~]

[2,5,8,15,18,21-hexaoxatricyclo[20.4.0.1^9,14^]hexacosa- 1(22)9(14),10,12,23,25-hexadiene-κ^6^O]potassium(I) tetrakis(thiocyanato-S)platinum(II)

- C44 H48 K2 N4 O12 Pt S4 -

1

0.5

OA1101

Li, Xue; Dou, Jian-Min; Liu, Ying; Zhu, Lan-Ying; Zheng, Pei-Ju

A novel Pt^II^‒dibenzo-18-crown-6 (DB18C6) complex

Acta Crystallographica Section C

2,000

56

10

1185

1187

10.1107/S010827010000929X

0.71073

MoKα

0.034

0.025

null

0.075

null

0.906

null

has coordinates

Li, Xue; Dou, Jian-Min; Liu, Ying; Zhu, Lan-Ying; Zheng, Pei-Ju A novel Pt^II^‒dibenzo-18-crown-6 (DB18C6) complex Acta Crystallographica Section C 56(10) (2000) 1185-1187

197,043

2020-10-21

18:00:00

#------------------------------------------------------------------------------ #$Date: 2017-05-30 17:58:23 +0300 (Tue, 30 May 2017) $ #$Revision: 197043 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/14/2011429.cif $ #-------------------------------------------------------------------...

2,011,430

6.5948

0.0017

9.493

0.003

19.64

0.005

90

null

90

null

90

null

1,229.6

0.6

298

2

298

2

null

4

F d d d :2

-F 2uv 2vw

70

sodium calcium tantalate

trisodium dicalcium tantalum hexoxide

- Ca2 Na3 O6 Ta -

- Ca16 Na24 O48 Ta8 -

8

0.25

OA1102

Yamane, Hisanori; Takahashi, Hiroki; Kajiwara, Takashi; Shimada, Masahiko

Na~3~Ca~2~TaO~6~, a rock-salt superstructure phase with a fully ordered cation arrangement

Acta Crystallographica Section C

2,000

56

10

1177

1178

10.1107/S0108270100009306

0.71073

MoKα

0.024

0.015

null

0.035

null

1.13

null

has coordinates

Yamane, Hisanori; Takahashi, Hiroki; Kajiwara, Takashi; Shimada, Masahiko Na~3~Ca~2~TaO~6~, a rock-salt superstructure phase with a fully ordered cation arrangement Acta Crystallographica Section C 56(10) (2000) 1177-1178

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/2/01/14/2011430.cif $ #-------------------------------------------------------------------...

2,011,431

22.155

0.002

7.744

0.0008

13.6293

0.0015

90

null

102.906

0.002

90

null

2,279.3

0.4

298

2

298

2

null

6

P 1 21/c 1

-P 2ybc

14

trans-Dichloro(1,10-bis(mercaptobenzylyl)-4,7-dioxadecane)palladium(II)

- C20 H26 Cl2 O2 Pd S2 -

- C80 H104 Cl8 O8 Pd4 S8 -

4

1

OB1036

Park, Ki-Min; Yoon, Il; Yoo, Byeong Soon; Choi, Jin Beom; Lee, Shim Sung; Kim, Bong Gon

trans-Dichloro(1,12-diphenyl-5,8-dioxa-2,11-dithiadodecane-S,S')palladium(II)

Acta Crystallographica Section C

2,000

56

10

1191

1192

10.1107/S010827010000946X

0.71073

MoKα

0.1175

0.0681

null

0.1996

null

1.061

null

has coordinates,has Fobs

Park, Ki-Min; Yoon, Il; Yoo, Byeong Soon; Choi, Jin Beom; Lee, Shim Sung; Kim, Bong Gon trans-Dichloro(1,12-diphenyl-5,8-dioxa-2,11-dithiadodecane-S,S')palladium(II) Acta Crystallographica Section C 56(10) (2000) 1191-1192

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/2/01/14/2011431.cif $ #-------------------------------------------------------------------...

2,011,432

12.6304

0.0008

11.3329

0.001

7.0306

0.0006

90

null

97.197

0.006

90

null

998.42

0.14

293

2

293

2

null

4

P 1 21/c 1

-P 2ybc

14

2-(2-oxoimidazolidinyl)ethyl 2-methylprop-2-enoate

- C9 H14 N2 O3 -

- C36 H56 N8 O12 -

4

1

OS1113

Spirlet, Marie-Rose; Desreux, Jean F.; Riondel, Alain; Herbst, Gilles; Goudiakas, Jean

2-(2-Oxoimidazolidinyl)ethyl 2-methylprop-2-enoate

Acta Crystallographica Section C

2,000

56

10

1258

1259

10.1107/S0108270100009835

0.71073

MoKα

0.045

0.032

null

0.09

null

0.95

null

has coordinates,has Fobs

Spirlet, Marie-Rose; Desreux, Jean F.; Riondel, Alain; Herbst, Gilles; Goudiakas, Jean 2-(2-Oxoimidazolidinyl)ethyl 2-methylprop-2-enoate Acta Crystallographica Section C 56(10) (2000) 1258-1259

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011432.cif $ #-------------------------------------------------------------------...

2,011,433

7.4538

0.0008

7.5568

0.0007

17.6385

0.0013

90

null

90

null

90

null

993.52

0.16

150

2

150

2

null

3

P 21 21 21

P 2ac 2ab

19

- C11 H12 O4 -

- C44 H48 O16 -

4

1

OS1119

Ellis, Dianne D.; Spek, Anthony L.

(5S)-3-Oxo-4-oxa-endo-tricyclo[5.2.1.0^2,6^]dec-8-en-5-yl acetate

Acta Crystallographica Section C

2,000

56

10

1269

1270

10.1107/S0108270100010179

0.71073

MoKα

0.0395

0.0341

null

0.0825

null

1.08

null

has coordinates,has Fobs

Ellis, Dianne D.; Spek, Anthony L. (5S)-3-Oxo-4-oxa-endo-tricyclo[5.2.1.0^2,6^]dec-8-en-5-yl acetate Acta Crystallographica Section C 56(10) (2000) 1269-1270

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011433.cif $ #-------------------------------------------------------------------...

2,011,434

18.4896

0.0003

14.4128

0.0005

18.6685

0.0006

90

0.01

97.977

0.003

90

0.01

4,926.8

0.2

298

null

5

P 1 21/c 1

-P 2ybc

14

- C26 H23 N5 O4 S -

- C26 H22 N5 O4 S -

- C208 H176 N40 O32 S8 -

8

2

QA0295

El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M.

Éthyl 5-méthylthio-3-(4-nitrophényl)-3a-phényl-3a,4-dihydro-3H-[1,2,4]triazolo[4,3-a][1,5]benzodiazépine-1-carboxylate

Acta Crystallographica Section C

2,000

56

10

e457

e458

10.1107/S0108270100011677

0.71073

MoKα

0.083

0.064

null

0.063

null

0.061

null

1.924

null

1.806

null

has coordinates,has Fobs

El Hazazi, S.; Baouid, A.; Hasnaoui, A.; Pierrot, M. Éthyl 5-méthylthio-3-(4-nitrophényl)-3a-phényl-3a,4-dihydro-3H-[1,2,4]triazolo[4,3-a][1,5]benzodiazépine-1-carboxylate Acta Crystallographica Section C 56(10) (2000) e457-e458

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/2/01/14/2011434.cif $ #-------------------------------------------------------------------...

2,011,435

14.4861

0.0005

16.872

0.001

17.9161

0.0006

90

0.01

152.698

0.002

90

0.01

2,008.5

0.2

298

null

4

P 1 21/c 1

-P 2ybc

14

- C23 H25 N3 O2 -

- C92 H100 N12 O8 -

4

1

QA0297

Aatif, A.; Baouid, A.; Hasnaoui, A.; Pierrot, M.

1-Mésityl-6-méthyl-3a,4-propano-3a,4,5,6-tétrahydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazépin-5-one

Acta Crystallographica Section C

2,000

56

10

e459

e460

10.1107/S0108270100011689

0.71073

MoKα

0.075

0.05

null

0.058

null

0.057

null

1.451

null

1.399

null

has coordinates,has Fobs

Aatif, A.; Baouid, A.; Hasnaoui, A.; Pierrot, M. 1-Mésityl-6-méthyl-3a,4-propano-3a,4,5,6-tétrahydro[1,2,4]oxadiazolo[4,5-a][1,5]benzodiazépin-5-one Acta Crystallographica Section C 56(10) (2000) e459-e460

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/2/01/14/2011435.cif $ #-------------------------------------------------------------------...

2,011,436

9.9313

0.0018

10.3818

0.0014

23.253

0.002

90

null

90

null

90

null

2,397.5

0.6

293

2

293

2

null

3

P b c a

-P 2ac 2ab

61

2,2'-Methylenebis(3-hydroxy-2-cyclohexen-1-one)

- C13 H16 O4 -

- C104 H128 O32 -

8

1

QA0324

SethuSankar, K.; Banumathi, S.; Krishna, R.; Velmurugan, D.

2,2'-Methylenebis(3-hydroxy-2-cyclohexen-1-one)

Acta Crystallographica Section C

2,000

56

10

e479

e480

10.1107/S0108270100012117

1.54184

CuKα

0.055

0.044

null

0.176

null

1.311

null

has coordinates,has Fobs

SethuSankar, K.; Banumathi, S.; Krishna, R.; Velmurugan, D. 2,2'-Methylenebis(3-hydroxy-2-cyclohexen-1-one) Acta Crystallographica Section C 56(10) (2000) e479-e480

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011436.cif $ #-------------------------------------------------------------------...

2,011,437

9.446

0.001

11.486

0.001

14.342

0.001

90

null

93.14

0.01

90

null

1,553.7

0.2

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

mer-trichlorotris(thiazole)ruthenium(III)

- C9 H9 Cl3 N3 Ru S3 -

- C36 H36 Cl12 N12 Ru4 S12 -

4

1

QA0327

Pifferi, Claudia; Cini, Renzo

mer-Trichlorotris(1,3-thiazole-N)ruthenium(III)

Acta Crystallographica Section C

2,000

56

10

e439

e440

10.1107/S0108270100012191

0.71073

MoKα

0.03

0.0232

null

0.0554

null

1.009

null

has coordinates,has disorder,has Fobs

Pifferi, Claudia; Cini, Renzo mer-Trichlorotris(1,3-thiazole-N)ruthenium(III) Acta Crystallographica Section C 56(10) (2000) e439-e440

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/2/01/14/2011437.cif $ #-------------------------------------------------------------------...

2,011,438

8.81

0.002

11.047

0.002

15.085

0.003

90

null

98.67

0.03

90

null

1,451.4

0.5

293

2

293

2

null

6

P 1 21/c 1

-P 2ybc

14

tetramethylammonium di-chloro-di-μ~2~-oxo-tetra-μ~2~-methoxotetradioxo -tetramolybdate(VI)

- C12 H36 Cl2 Mo4 N2 O14 -

- C24 H72 Cl4 Mo8 N4 O28 -

2

0.5

QA0331

Strukan, Neven; Cindrić, Marina; Kajfež, Tanja; Kamenar, Boris; Giester, Gerald

The polyoxometallate [(CH~3~)~4~N]~2~[Mo~4~O~10~(OCH~3~)~4~Cl~2~]

Acta Crystallographica Section C

2,000

56

10

e443

e444

10.1107/S0108270100012233

0.71073

MoKα

0.041

0.031

null

0.079

null

1.044

null

has coordinates,has Fobs

Strukan, Neven; Cindrić, Marina; Kajfež, Tanja; Kamenar, Boris; Giester, Gerald The polyoxometallate [(CH~3~)~4~N]~2~[Mo~4~O~10~(OCH~3~)~4~Cl~2~] Acta Crystallographica Section C 56(10) (2000) e443-e444

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/2/01/14/2011438.cif $ #-------------------------------------------------------------------...

2,011,439

13.5897

0.0005

10.0316

0.0004

22.624

0.001

90

null

147.261

0.003

90

null

1,668

0.18

298

null

7

P 1 21/c 1

-P 2ybc

14

- C26 H20 Cu F6 N8 O10 S2 -

- C26 H20 Cu F6 N8 O9.94 S2 -

- C52 H40 Cu2 F12 N16 O19.88 S4 -

2

0.5

QA0347

Gueddi, A.; Mernari, B.; Giorgi, M.; Pierrot, M.

Two 2,5-bis(2-pyridinyl)-1,3,4-oxadiazole‒metal complexes (M = Cu and~Ni)

Acta Crystallographica Section C

2,000

56

10

e426

e428

10.1107/S0108270100011707

0.71073

MoKα

0.076

0.065

null

0.074

null

0.074

null

1.496

null

1.635

null

has coordinates,has Fobs

Gueddi, A.; Mernari, B.; Giorgi, M.; Pierrot, M. Two 2,5-bis(2-pyridinyl)-1,3,4-oxadiazole‒metal complexes (M = Cu and~Ni) Acta Crystallographica Section C 56(10) (2000) e426-e428

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/2/01/14/2011439.cif $ #-------------------------------------------------------------------...

2,011,440

13.6569

0.0009

10.963

0.0007

18.921

0.001

90

0.01

147.752

0.003

90

0.01

1,511.6

0.2

298

null

6

P 1 21/c 1

-P 2ybc

14

- C24 H20 Cl2 N8 Ni O12 -

- C24 H16 Cl2 N8 Ni O12 -

- C48 H32 Cl4 N16 Ni2 O24 -

2

0.5

QA0347

Gueddi, A.; Mernari, B.; Giorgi, M.; Pierrot, M.

Two 2,5-bis(2-pyridinyl)-1,3,4-oxadiazole‒metal complexes (M = Cu and~Ni)

Acta Crystallographica Section C

2,000

56

10

e426

e428

10.1107/S0108270100011707

0.71073

MoKα

0.088

0.086

null

0.075

null

0.073

null

2.272

null

2.154

null

has coordinates,has Fobs

Gueddi, A.; Mernari, B.; Giorgi, M.; Pierrot, M. Two 2,5-bis(2-pyridinyl)-1,3,4-oxadiazole‒metal complexes (M = Cu and~Ni) Acta Crystallographica Section C 56(10) (2000) e426-e428

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/2/01/14/2011440.cif $ #-------------------------------------------------------------------...

2,011,441

7.6475

0.0004

9.2255

0.0003

17.521

0.005

90

0.01

99.122

0.002

90

0.01

1,220.5

0.4

298

null

4

P 1 21/c 1

-P 2ybc

14

- C12 H12 N2 O5 -

- C48 H48 N8 O20 -

4

1

QA0354

Ferfra, S.; Ahabchane, N.; Essassi, E. M.; Pierrot, M.

3-(Ethoxycarbonyldihydroxymethyl)-2-oxo-1,2-dihydroquinoxaline

Acta Crystallographica Section C

2,000

56

10

e463

e464

10.1107/S0108270100012142

0.71073

MoKα

0.066

0.049

null

0.054

null

0.054

null

1.479

null

1.472

null

has coordinates,has Fobs

Ferfra, S.; Ahabchane, N.; Essassi, E. M.; Pierrot, M. 3-(Ethoxycarbonyldihydroxymethyl)-2-oxo-1,2-dihydroquinoxaline Acta Crystallographica Section C 56(10) (2000) e463-e464

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011441.cif $ #-------------------------------------------------------------------...

2,011,442

10.105

0.003

18.133

0.003

15.59

0.005

90

null

103.29

0.02

90

null

2,780.1

1.3

293

2

293

2

null

6

P 1 21/n 1

-P 2yn

14

- C17 H28 Cu N6 O15 Pt -

- C17 H22 Cu N6 O15 Pt -

- C68 H88 Cu4 N24 O60 Pt4 -

4

1

QA0355

Song, Rita; Kim, Kwan Mook; Sohn, Youn Soo

A zigzag-type one-dimensional coordination polymer formed by (2,2-dimethyl-1,3-propanediamine)bis(isonicotinato)platinum(II) and copper nitrate

Acta Crystallographica Section C

2,000

56

10

e447

10.1107/S0108270100012488

0.71073

MoKα

0.043

0.034

null

0.091

null

1.073

null

has coordinates,has Fobs

Song, Rita; Kim, Kwan Mook; Sohn, Youn Soo A zigzag-type one-dimensional coordination polymer formed by (2,2-dimethyl-1,3-propanediamine)bis(isonicotinato)platinum(II) and copper nitrate Acta Crystallographica Section C 56(10) (2000) e447-e447

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/2/01/14/2011442.cif $ #-------------------------------------------------------------------...

2,011,443

9.9783

0.0003

20.4064

0.0007

11.1476

0.0003

90

0.01

93.231

0.002

90

0.01

2,266.28

0.12

298

null

5

P 1 21/n 1

-P 2yn

14

- C24 H25 Cl N2 O6 -

- C96 H100 Cl4 N8 O24 -

4

1

QA0359

Benelbaghdadi, R.; Benharref, A.; Hasnaoui, A.; Lavergne, J. P.; Pierrot, M.; Huet, F.

Diéthyl 10-chloro-7-méthyl-6-oxo-11b-phényl-2,3,5,6,7,11b-héxahydrooxazolino[3,2-d][1,4]benzodiazépine-2,3-carboxylate

Acta Crystallographica Section C

2,000

56

10

e461

e462

10.1107/S0108270100012130

0.71073

MoKα

0.053

0.041

null

0.047

null

0.047

null

1.492

null

1.53

null

has coordinates,has Fobs

Benelbaghdadi, R.; Benharref, A.; Hasnaoui, A.; Lavergne, J. P.; Pierrot, M.; Huet, F. Diéthyl 10-chloro-7-méthyl-6-oxo-11b-phényl-2,3,5,6,7,11b-héxahydrooxazolino[3,2-d][1,4]benzodiazépine-2,3-carboxylate Acta Crystallographica Section C 56(10) (2000) e461-e462

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/2/01/14/2011443.cif $ #-------------------------------------------------------------------...

2,011,444

9.586

0.003

8.279

0.002

11.096

0.005

90

null

99.74

0.02

90

null

867.9

0.5

173

2

173

2

null

4

P 1 21 1

P 2yb

4

- C16 H23 N O8 -

- C32 H46 N2 O16 -

2

1

QA0365

Gainsford, Graeme J.; Furneaux, Richard H.; Mason, Jenny M.; Tyler, Peter C.

1,2,7,8-Tetra-O-acetylaustraline

Acta Crystallographica Section C

2,000

56

10

e477

e478

10.1107/S0108270100012099

0.71069

MoKα

0.081

0.053

null

0.108

null

1.012

null

has coordinates,has Fobs

Gainsford, Graeme J.; Furneaux, Richard H.; Mason, Jenny M.; Tyler, Peter C. 1,2,7,8-Tetra-O-acetylaustraline Acta Crystallographica Section C 56(10) (2000) e477-e478

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/2/01/14/2011444.cif $ #-------------------------------------------------------------------...

2,011,445

27.981

0.006

15.523

0.003

8.9366

0.0018

90

null

90

null

90

null

3,881.6

1.4

150

2

150

2

null

5

P n a 21

P 2c -2n

33

catena-Poly[[tetrakis[μ-(3-methoxyphenyl)acetato-O:O']dicopper(II)]- μ-2-aminopyrimidine-N^1^:N^3^]

- C40 H41 Cu2 N3 O12 -

- C160 H164 Cu8 N12 O48 -

4

1

QA0366

Lynch, Daniel E.; Duckhouse, Helen L.

catena-Poly[[tetrakis[μ-(3-methoxyphenyl)acetato-O:O']dicopper(II)]-μ-2-aminopyrimidine-N^1^:N^3^]

Acta Crystallographica Section C

2,000

56

10

e425

10.1107/S0108270100011653

0.71073

MoKα

0.117

0.049

null

0.096

null

0.891

null

has coordinates,has Fobs

Lynch, Daniel E.; Duckhouse, Helen L. catena-Poly[[tetrakis[μ-(3-methoxyphenyl)acetato-O:O']dicopper(II)]-μ-2-aminopyrimidine-N^1^:N^3^] Acta Crystallographica Section C 56(10) (2000) e425-e425

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/2/01/14/2011445.cif $ #-------------------------------------------------------------------...

2,011,446

9.7508

0.0007

9.7508

0.0007

28.177

0.002

90

null

90

null

120

null

2,320.1

0.3

291

2

291

2

null

7

R 3 2 :H

R 3 2"

155

- C12 H24 B2 F8 Na5 Nd O21 -

- C36 H72 B6 F24 Na15 Nd3 O63 -

3

0.166667

QA0369

Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian

Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[M(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (M = Nd, Sm or Gd)

Acta Crystallographica Section C

2,000

56

10

e435

e436

10.1107/S0108270100012087

0.71073

MoKα

0.022

null

0.055

null

1.133

null

has coordinates,has Fobs

Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[M(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (M = Nd, Sm or Gd) Acta Crystallographica Section C 56(10) (2000) e435-e436

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/2/01/14/2011446.cif $ #-------------------------------------------------------------------...

2,011,447

9.7223

0.0011

9.7223

0.0011

28.0728

0.0014

90

null

90

null

120

null

2,298

0.4

291

2

291

2

null

7

R 3 2 :H

R 3 2"

155

- C12 H24 B2 F8 Na5 O21 Sm -

- C36 H72 B6 F24 Na15 O63 Sm3 -

3

0.166667

QA0369

Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian

Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[M(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (M = Nd, Sm or Gd)

Acta Crystallographica Section C

2,000

56

10

e435

e436

10.1107/S0108270100012087

0.71073

MoKα

0.014

null

0.037

null

1.133

null

has coordinates,has Fobs

Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[M(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (M = Nd, Sm or Gd) Acta Crystallographica Section C 56(10) (2000) e435-e436

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/2/01/14/2011447.cif $ #-------------------------------------------------------------------...

2,011,448

9.7041

0.001

9.7041

0.001

28.025

0.006

90

null

90

null

120

null

2,285.5

0.6

291

2

291

2

null

7

R 3 2 :H

R 3 2"

155

- C12 H24 B2 F8 Gd Na5 O21 -

- C36 H72 B6 F24 Gd3 Na15 O63 -

3

0.166667

QA0369

Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian

Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[M(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (M = Nd, Sm or Gd)

Acta Crystallographica Section C

2,000

56

10

e435

e436

10.1107/S0108270100012087

0.71073

MoKα

0.012

null

0.032

null

1.073

null

has coordinates,has Fobs

Farrugia, Louis J.; Peacock, Robert D.; Stewart, Brian Lanthanide complexes of 2,2'-oxydiacetate: Na~5~[M(C~4~H~4~O~5~)~3~](BF~4~)~2~·6H~2~O (M = Nd, Sm or Gd) Acta Crystallographica Section C 56(10) (2000) e435-e436

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/2/01/14/2011448.cif $ #-------------------------------------------------------------------...

2,011,449

8.828

0.006

15.174

0.005

16.42

0.007

113.52

0.03

99.27

0.04

83.53

0.04

1,987.6

1.8

293

2

293

2

null

3

P -1

-P 1

2

trans-2,3-Dibenzoyl-2-butenedioic acide diethyl ester

- C22 H20 O6 -

- C88 H80 O24 -

4

2

QA0371

Li, Yi-Zhi; Dai, Rong-Bin; Wu, An-Xin; Wang, Min; Li, Qin-Xi; Sun, Gang-Chun; Wang, Liu-Fang; Xia, Chun-Gu

Diethyl trans-2,3-dibenzoyl-2-butenedioate

Acta Crystallographica Section C

2,000

56

10

e455

e456

10.1107/S0108270100011665

0.71073

MoKα

0.018

0.017

null

0.058

null

0.927

null

has coordinates,has Fobs

Li, Yi-Zhi; Dai, Rong-Bin; Wu, An-Xin; Wang, Min; Li, Qin-Xi; Sun, Gang-Chun; Wang, Liu-Fang; Xia, Chun-Gu Diethyl trans-2,3-dibenzoyl-2-butenedioate Acta Crystallographica Section C 56(10) (2000) e455-e456

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011449.cif $ #-------------------------------------------------------------------...

2,011,450

8.8218

0.0005

9.8252

0.0006

10.1163

0.0006

90

null

90

null

90

null

876.8

0.2

298

null

298

null

Synthetic

4

P b c a

-P 2ac 2ab

61

Mansfieldite

- Al As H4 O6 -

- Al8 As8 H32 O48 -

8

1

Harrison, William T. A.

Synthetic mansfieldite, AlAsO~4~.2H~2~O

Acta Crystallographica, Section C

2,000

56

e421

10.1107/S0108270100011690

null

has coordinates

Harrison, William T. A. Synthetic mansfieldite, AlAsO~4~.2H~2~O Acta Crystallographica, Section C 56 (2000) e421-e421

282,068

2023-03-26

10:12:03

#------------------------------------------------------------------------------ #$Date: 2023-03-26 11:09:57 +0300 (Sun, 26 Mar 2023) $ #$Revision: 282068 $ #$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/14/2011450.cif $ #-------------------------------------------------------------------...

2,011,451

11.3793

0.0002

5.924

0.0001

12.1901

0.0001

90

null

115.31

null

90

null

742.865

0.019

213

2

213

2

null

5

P 1 21/c 1

-P 2ybc

14

- C12 H16 Cl2 N4 Ni -

- C24 H32 Cl4 N8 Ni2 -

2

0.5

QA0378

Maxcy, Karen R.; Smith, Randy; Willett, Roger D.; Vij, Ashwani

Dichlorobis(1,2-phenylenediamine)nickel(II)

Acta Crystallographica Section C

2,000

56

10

e454

10.1107/S0108270100012476

0.71073

MoKα

0.025

0.023

null

0.057

null

1.218

null

has coordinates,has Fobs

Maxcy, Karen R.; Smith, Randy; Willett, Roger D.; Vij, Ashwani Dichlorobis(1,2-phenylenediamine)nickel(II) Acta Crystallographica Section C 56(10) (2000) e454-e454

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/2/01/14/2011451.cif $ #-------------------------------------------------------------------...

2,011,452

8.3328

0.0017

11.68

0.002

11.724

0.002

90

null

106.92

0.03

90

null

1,091.7

0.4

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

(4-DMAP)2[SnCl6]

4-Dimethylaminopyridinium hexachlorostanate

- C14 H22 Cl6 N4 Sn -

- C14 H22 Cl6 N4 Sn0.989 -

- C28 H44 Cl12 N8 Sn1.978 -

2

0.5

QA0379

Willett, Roger D.; Haddad, Salim F.

Bis[4-(dimethylamino)pyridinium] hexachlorostannate(IV)

Acta Crystallographica Section C

2,000

56

10

e438

10.1107/S0108270100012129

0.71073

MoKα

0.032

0.025

null

0.065

null

1.186

null

has coordinates

Willett, Roger D.; Haddad, Salim F. Bis[4-(dimethylamino)pyridinium] hexachlorostannate(IV) Acta Crystallographica Section C 56(10) (2000) e438-e438

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/2/01/14/2011452.cif $ #-------------------------------------------------------------------...

2,011,453

30.523

0.006

8.4111

0.0017

13.914

0.003

90

null

94.4

0.03

90

null

3,561.6

1.3

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

Bis(pyridinecarboxylato-O,N)(pyridinecarboxylic acid-O,N)manganese(III) hydroxide

- C18 H14 Mn N3 O7 -

- C144 H112 Mn8 N24 O56 -

8

1

QA0380

Li, Yi-Zhi; Wang, Min; Wang, Liu-Fang; Xia, Chun-Gu

Bis(pyridinecarboxylato-O,N)(pyridinecarboxylic acid-O,N)manganese(III) hydroxide

Acta Crystallographica Section C

2,000

56

10

e445

e446

10.1107/S0108270100012245

0.71073

MoKα

0.029

null

0.067

null

0.86

null

has coordinates,has Fobs

Li, Yi-Zhi; Wang, Min; Wang, Liu-Fang; Xia, Chun-Gu Bis(pyridinecarboxylato-O,N)(pyridinecarboxylic acid-O,N)manganese(III) hydroxide Acta Crystallographica Section C 56(10) (2000) e445-e446

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/2/01/14/2011453.cif $ #-------------------------------------------------------------------...

2,011,454

17.304

0.004

13.055

0.003

19.444

0.004

90

null

105.8

0.02

90

null

4,226.5

1.7

300

2

300

2

null

8

P 1 21/n 1

-P 2yn

14

- C30 H70 Cl Li N3 Ni O3 P3 -

- C120 H280 Cl4 Li4 N12 Ni4 O12 P12 -

4

1

QA0381

Kuchen, Wilhelm; Wunderlich, Hartmut

Three different functions of a phosphinic amidato ligand in LNi(LLi)(LH) {L = [^t^Bu~2~P(O)NEt]^{-^}}

Acta Crystallographica Section C

2,000

56

10

e434

10.1107/S0108270100012075

0.71073

MoKα

0.092

0.045

null

0.133

null

0.933

null

has coordinates,has disorder,has Fobs

Kuchen, Wilhelm; Wunderlich, Hartmut Three different functions of a phosphinic amidato ligand in LNi(LLi)(LH) {L = [^t^Bu~2~P(O)NEt]^{-^}} Acta Crystallographica Section C 56(10) (2000) e434-e434

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/2/01/14/2011454.cif $ #-------------------------------------------------------------------...

2,011,455

20.612

0.01

10.053

0.005

13.507

0.007

90

null

127.264

0.007

90

null

2,227.5

1.9

293

2

293

2

null

5

C 1 2/c 1

-C 2yc

15

- C10 H12 Br8 Cu N6 -

- C40 H48 Br32 Cu4 N24 -

4

0.5

QA0382

Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan

Bis(2,6-diamino-3,5-dibromopyridinium) tetrabromocuprate(II)

Acta Crystallographica Section C

2,000

56

10

e437

10.1107/S0108270100012105

0.71073

MoKα

0.076

0.05

null

0.129

null

1.019

null

has coordinates,has Fobs

Willett, Roger D.; Haddad, Salim F.; Twamley, Brendan Bis(2,6-diamino-3,5-dibromopyridinium) tetrabromocuprate(II) Acta Crystallographica Section C 56(10) (2000) e437-e437

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/2/01/14/2011455.cif $ #-------------------------------------------------------------------...

2,011,456

9.598

0.003

16.056

0.004

18.112

0.004

90

null

100.88

0.02

90

null

2,741

1.3

173

2

null

4

P 1 21/n 1

-P 2yn

14

tris(t-butyl-3-oxobutanoato)iron(III)

- C24 H39 Fe O9 -

- C96 H156 Fe4 O36 -

4

1

QA0385

Urs, Usha K.; Shalini, K.; Shivashankar, S. A.; Guru Row, T. N.

Low-temperature tris(tert-butyl 3-oxobutanoato)iron(III)

Acta Crystallographica Section C

2,000

56

10

e448

e449

10.1107/S010827010001249X

0.71069

MoKα

null

0.062

null

0.173

null

0.906

null

has coordinates,has Fobs

Urs, Usha K.; Shalini, K.; Shivashankar, S. A.; Guru Row, T. N. Low-temperature tris(tert-butyl 3-oxobutanoato)iron(III) Acta Crystallographica Section C 56(10) (2000) e448-e449

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011456.cif $ #-------------------------------------------------------------------...

2,011,457

9.3491

0.0015

9.7506

0.0012

10.3634

0.0016

83.938

0.011

75.667

0.012

64.891

0.01

828.8

0.2

293

null

293

null

5

P -1

-P 1

2

Tetraimidazolium octamolybdate(VI)

- C12 H20 Mo8 N8 O26 -

1

0.5

QA0386

Gili, Pedro; Núñez, Pedro; Martín-Zarza, Pedro; Lorenzo-Luis, Pablo A.

A new inorganic–organic hybrid: tetraimidazolium octamolybdate(VI) containing the β-form of the [Mo~8~O~26~]^4{-^} anion

Acta Crystallographica Section C

2,000

56

10

e441

e442

10.1107/S0108270100012221

0.71069

MoKα

0.031

0.024

null

0.076

null

0.927

null

has coordinates

Gili, Pedro; Núñez, Pedro; Martín-Zarza, Pedro; Lorenzo-Luis, Pablo A. A new inorganic–organic hybrid: tetraimidazolium octamolybdate(VI) containing the β-form of the [Mo~8~O~26~]^4{-^} anion Acta Crystallographica Section C 56(10) (2000) e441-e442

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011457.cif $ #-------------------------------------------------------------------...

2,011,458

13.798

0.003

9.335

0.0019

13.729

0.003

90

null

107.42

0.03

90

null

1,687.3

0.7

173

2

173

2

null

6

P 1 21/c 1

-P 2ybc

14

- C10 H24 Br2 N2 O2 Sn -

- C40 H96 Br8 N8 O8 Sn4 -

4

1

QA0387

König, Uwe-Christoph; Berkei, Michael; Hirsch, Claudia; Preut, Hans; Mitchell, Terence Nigel

cis-Dibromo-trans-dimethyl-cis-bis(N,N-dimethylacetamide)tin(IV)

Acta Crystallographica Section C

2,000

56

10

e452

e453

10.1107/S010827010001221X

0.71073

MoKα

0.043

0.033

null

0.078

null

1.093

null

has coordinates,has Fobs

König, Uwe-Christoph; Berkei, Michael; Hirsch, Claudia; Preut, Hans; Mitchell, Terence Nigel cis-Dibromo-trans-dimethyl-cis-bis(N,N-dimethylacetamide)tin(IV) Acta Crystallographica Section C 56(10) (2000) e452-e453

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/2/01/14/2011458.cif $ #-------------------------------------------------------------------...

2,011,459

9.3218

0.0007

9.3218

0.0007

73.631

0.008

90

null

90

null

120

null

5,541

0.8

170

2

170

2

null

4

P 61 2 2

P 61 2 (0 0 5)

178

(1S,2S)-1,2-bis(2'-thiophenyl)cyclopentane bis-(-)- menthylcarbonate

- C39 H54 O4 S2 -

- C234 H324 O24 S12 -

6

0.5

QA0388

Bates, Robert B.; Carducci, Michael D.; Diez, Anna; Forns, Pilar; Kane, Vinayak V.; Rubiralta, Mario

Absolute configuration of a C~2~-symmetric bis(thiophenol)

Acta Crystallographica Section C

2,000

56

10

e484

10.1107/S0108270100012506

0.71073

MoKα

0.093

0.045

null

0.119

null

1

null

has coordinates,has Fobs

Bates, Robert B.; Carducci, Michael D.; Diez, Anna; Forns, Pilar; Kane, Vinayak V.; Rubiralta, Mario Absolute configuration of a C~2~-symmetric bis(thiophenol) Acta Crystallographica Section C 56(10) (2000) e484-e484

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011459.cif $ #-------------------------------------------------------------------...

2,011,460

5.7874

0.0007

7.5327

0.0007

25.3418

0.0019

90

null

94.227

0.008

90

null

1,101.76

0.19

293

2

293

2

null

5

P 1 21/c 1

-P 2ybc

14

organofluorine derivative

N-arylenamine-3-chloro-4-fluoroaniline

- C13 H9 Cl F N -

- C52 H36 Cl4 F4 N4 -

4

1

QD0015

Arjuna Gowda, K. V.; Kokila, M. K.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C.

(E)-N-Benzylidene-3-chloro-4-fluoroaniline

Acta Crystallographica Section C

2,000

56

10

e481

e482

10.1107/S0108270100012166

1.5418

CuKα

0.041

0.035

null

0.123

null

0.976

null

has coordinates

Arjuna Gowda, K. V.; Kokila, M. K.; Puttaraja; Kulkarni, M. V.; Shivaprakash, N. C. (E)-N-Benzylidene-3-chloro-4-fluoroaniline Acta Crystallographica Section C 56(10) (2000) e481-e482

301,798

2025-08-19

6:41:47

#------------------------------------------------------------------------------ #$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/2/01/14/2011460.cif $ #-------------------------------------------------------------------...