Crystallography Open Database

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Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 57

COD ID: 2103546
CIF file

Original IUCr paper

Formula: - C12 H30 Cl2 Co N5 O10 -
Comments: Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan Structures of three <i>cis</i>-β~1~ and three <i>cis</i>-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes Acta Crystallographica Section B 57(1) (2001) 45-53
Space group: P 1 21 1
Cell volume: 1062.5
Cell parameters: 10.7972; 8.8272; 11.9248; 90; 110.794; 90;  

COD ID: 2103547
CIF file

Original IUCr paper

Formula: - C11 H28 Cl2 Co N5 O10 -
Comments: Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan Structures of three <i>cis</i>-β~1~ and three <i>cis</i>-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes Acta Crystallographica Section B 57(1) (2001) 45-53
Space group: P 1 21 1
Cell volume: 1002.35
Cell parameters: 8.9877; 8.8829; 12.8157; 90; 101.577; 90;  

COD ID: 2103548
CIF file

Original IUCr paper

Formula: - C11 H23 Cl Co N5 O7 -
Comments: Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan Structures of three <i>cis</i>-β~1~ and three <i>cis</i>-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes Acta Crystallographica Section B 57(1) (2001) 45-53
Space group: P 21 21 21
Cell volume: 1716.25
Cell parameters: 9.4009; 13.3659; 13.6588; 90; 90; 90;  

COD ID: 2103549
CIF file

Original IUCr paper

Formula: - C12 H32 Co I2 N5 O3 -
Comments: Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan Structures of three <i>cis</i>-β~1~ and three <i>cis</i>-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes Acta Crystallographica Section B 57(1) (2001) 45-53
Space group: P 21 21 21
Cell volume: 2165.2
Cell parameters: 10.053; 11.54; 18.664; 90; 90; 90;  

COD ID: 2103550
CIF file

Original IUCr paper

Formula: - C12 H34 Cl2 Co N5 O12 -
Comments: Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan Structures of three <i>cis</i>-β~1~ and three <i>cis</i>-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes Acta Crystallographica Section B 57(1) (2001) 45-53
Space group: P 21 21 21
Cell volume: 2323
Cell parameters: 11.5333; 13.3726; 15.0622; 90; 90; 90;  

COD ID: 2103551
CIF file

Original IUCr paper

Formula: - C12 H34 Cl2 Co N5 O12 -
Comments: Cai, Jiwen; Hu, Xiaopeng; Feng, Xiaolong; Ji, Liangnian; Bernal, Ivan Structures of three <i>cis</i>-β~1~ and three <i>cis</i>-β~2~ isomers of [Co(trien)(aminoacidato)]^2+^ complexes Acta Crystallographica Section B 57(1) (2001) 45-53
Space group: P 21 21 21
Cell volume: 2372.1
Cell parameters: 8.7716; 12.6294; 21.413; 90; 90; 90;  

COD ID: 2103552
CIF file

Original IUCr paper

Formula: - H5 N O5 -
Comments: Lebrun, N.; Mahe, F.; Lamiot, J.; Foulon, M.; Petit, J. C.; Prevost, D. Kinetic behaviour investigations and crystal structure of nitric acid dihydrate Acta Crystallographica Section B 57(1) (2001) 27-35
Space group: P 1 21/n 1
Cell volume: 795.5
Cell parameters: 17.509; 7.619; 6.253; 90; 107.5; 90;  

COD ID: 2103553
CIF file

HKL data

Original IUCr paper

Formula: - C14 H19 Cl O8 -
Comments: Simons, J.; Thomas, H. G.; Hall, S. R.; Raabe, G. Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane Acta Crystallographica Section B 57(1) (2001) 63-71
Space group: P 1 21/n 1
Cell volume: 1635.8
Cell parameters: 8.117; 8.5598; 23.786; 90; 98.19; 90;  

COD ID: 2103554
CIF file

HKL data

Original IUCr paper

Formula: - C15 H22 O9 -
Comments: Simons, J.; Thomas, H. G.; Hall, S. R.; Raabe, G. Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane Acta Crystallographica Section B 57(1) (2001) 63-71
Space group: P 1 21/c 1
Cell volume: 1709.4
Cell parameters: 10.858; 14.117; 11.519; 90; 104.508; 90;  

COD ID: 2103555
CIF file

HKL data

Original IUCr paper

Formula: - C13 H20 O7 -
Comments: Simons, J.; Thomas, H. G.; Hall, S. R.; Raabe, G. Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane Acta Crystallographica Section B 57(1) (2001) 63-71
Space group: P 1 21/n 1
Cell volume: 1408
Cell parameters: 11.498; 8.4175; 15.632; 90; 111.47; 90;  

COD ID: 2103556
CIF file

HKL data

Original IUCr paper

Formula: - C13 H20 O7 -
Comments: Simons, J.; Thomas, H. G.; Hall, S. R.; Raabe, G. Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane Acta Crystallographica Section B 57(1) (2001) 63-71
Space group: P 1 21/n 1
Cell volume: 1388.6
Cell parameters: 8.629; 11.047; 14.573; 90; 91.66; 90;  

COD ID: 2103557
CIF file

Original IUCr paper

Formula: - C14 H22 O6 -
Comments: Simons, J.; Thomas, H. G.; Hall, S. R.; Raabe, G. Synthesis and structure of, and bonding in some derivatives of 2,6,9,10-tetraoxatricyclo[3.3.1.1^3,8^]decane Acta Crystallographica Section B 57(1) (2001) 63-71
Space group: P -1
Cell volume: 705.7
Cell parameters: 8.07; 8.753; 11.084; 77.03; 72.27; 73.14;  

COD ID: 2103558
CIF file

Original IUCr paper

Formula: - C4 H6 D8 Mn O8 -
Comments: Nicolaï, Béatrice; Kearley, Gordon J.; Cousson, Alain; Paulus, Werner; Fillaux, François; Gentner, Fabien; Schröder, Ludger; Watkin, David Structure of manganese diacetate tetrahydrate and low-temperature methyl-group dynamics Acta Crystallographica Section B 57(1) (2001) 36-44
Space group: P 1 21/c 1
Cell volume: 1499
Cell parameters: 10.88; 17.39; 9.04; 90; 118.8; 90;  

COD ID: 2103559
CIF file

Original IUCr paper

Formula: - C4 H6 D8 Mn O8 -
Comments: Nicolaï, Béatrice; Kearley, Gordon J.; Cousson, Alain; Paulus, Werner; Fillaux, François; Gentner, Fabien; Schröder, Ludger; Watkin, David Structure of manganese diacetate tetrahydrate and low-temperature methyl-group dynamics Acta Crystallographica Section B 57(1) (2001) 36-44
Space group: P 1 21/c 1
Cell volume: 1551
Cell parameters: 11.1; 17.51; 9.09; 90; 118.6; 90;  

COD ID: 2103560
CIF file

HKL data

Original IUCr paper

Formula: - C6 H18 N2 O6 P2 -
Comments: Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Burchell, Colin J.; Glidewell, Christopher Ethane-1,2-diphosphonic acid as a building block in supramolecular chemistry; a pillared-layer framework and framework-encapsulated cations Acta Crystallographica Section B 57(1) (2001) 95-102
Space group: P 1 21/c 1
Cell volume: 616.53
Cell parameters: 7.3914; 9.3343; 9.359; 90; 107.291; 90;  

COD ID: 2103561
CIF file

HKL data

Original IUCr paper

Formula: - C15 H39.6 N2 O8.8 P2 -
Comments: Wheatley, Paul S.; Lough, Alan J.; Ferguson, George; Burchell, Colin J.; Glidewell, Christopher Ethane-1,2-diphosphonic acid as a building block in supramolecular chemistry; a pillared-layer framework and framework-encapsulated cations Acta Crystallographica Section B 57(1) (2001) 95-102
Space group: P 1 21/c 1
Cell volume: 2260.98
Cell parameters: 6.1218; 20.6215; 18.1831; 90; 99.942; 90;  

COD ID: 2103562
CIF file

HKL data

Original IUCr paper

Formula: - C6 H15 Cl N2 O -
Comments: In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts Acta Crystallographica Section B 57(1) (2001) 72-81
Space group: P 1 21 1
Cell volume: 465.14
Cell parameters: 7.5775; 4.8971; 12.5686; 90; 94.195; 90;  

COD ID: 2103563
CIF file

HKL data

Original IUCr paper

Formula: - C5 H13 Cl N2 O -
Comments: In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts Acta Crystallographica Section B 57(1) (2001) 72-81
Space group: P 1 21 1
Cell volume: 393.84
Cell parameters: 5.3377; 7.4572; 9.899; 90; 91.73; 90;  

COD ID: 2103564
CIF file

HKL data

Original IUCr paper

Formula: - C4 H11 Cl N2 O2 -
Comments: In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts Acta Crystallographica Section B 57(1) (2001) 72-81
Space group: P 21 21 21
Cell volume: 724.8
Cell parameters: 10.1624; 10.5673; 6.749; 90; 90; 90;  

COD ID: 2103565
CIF file

HKL data

Original IUCr paper

Formula: - C3 H9 Cl N2 O2 -
Comments: In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts Acta Crystallographica Section B 57(1) (2001) 72-81
Space group: P 1 21 1
Cell volume: 321.98
Cell parameters: 7.562; 4.9986; 8.519; 90; 90.76; 90;  

COD ID: 2103566
CIF file

HKL data

Original IUCr paper

Formula: - C5 H13 Cl N2 O S -
Comments: In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts Acta Crystallographica Section B 57(1) (2001) 72-81
Space group: P 1 21 1
Cell volume: 447
Cell parameters: 7.591; 5.029; 11.786; 90; 96.49; 90;  

COD ID: 2103567
CIF file

HKL data

Original IUCr paper

Formula: - C11 H14 Cl N3 O -
Comments: In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts Acta Crystallographica Section B 57(1) (2001) 72-81
Space group: P 1 21 1
Cell volume: 579.59
Cell parameters: 7.6394; 5.2786; 14.5967; 90; 100.047; 90;  

COD ID: 2103568
CIF file

HKL data

Original IUCr paper

Formula: - C6 H19 Cl2 N5 O2 -
Comments: In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts Acta Crystallographica Section B 57(1) (2001) 72-81
Space group: P 21 21 21
Cell volume: 1291.9
Cell parameters: 7.536; 32.487; 5.277; 90; 90; 90;  

COD ID: 2103569
CIF file

HKL data

Original IUCr paper

Formula: - C5 H12 Cl N3 O2 -
Comments: In, Yasuko; Fujii, Mayumi; Sasada, Yasuhiro; Ishida, Toshimasa Structural studies on C-amidated amino acids and peptides: structures of hydrochloride salts of C-amidated Ile, Val, Thr, Ser, Met, Trp, Gln and Arg, and comparison with their C-unamidated counterparts Acta Crystallographica Section B 57(1) (2001) 72-81
Space group: P 1 21 1
Cell volume: 408.39
Cell parameters: 7.741; 4.8907; 10.8159; 90; 94.18; 90;  

COD ID: 2103570
CIF file

HKL data

Original IUCr paper

Formula: - C10 H8 O2 S4 -
Comments: Matsumoto, Shinya; Mizuguchi, Jin Structures of tetrathiabenzoquinone derivatives and the order‒disorder phase transition Acta Crystallographica Section B 57(1) (2001) 82-87
Space group: I b a m
Cell volume: 1124.7
Cell parameters: 9.441; 16.583; 7.184; 90; 90; 90;  

COD ID: 2103571
CIF file

HKL data

Original IUCr paper

Formula: - C10 H8 O2 S4 -
Comments: Matsumoto, Shinya; Mizuguchi, Jin Structures of tetrathiabenzoquinone derivatives and the order‒disorder phase transition Acta Crystallographica Section B 57(1) (2001) 82-87
Space group: P c c n
Cell volume: 1095
Cell parameters: 9.401; 16.515; 7.053; 90; 90; 90;  

COD ID: 2103572
CIF file

HKL data

Original IUCr paper

Formula: - C12 H12 O2 S4 -
Comments: Matsumoto, Shinya; Mizuguchi, Jin Structures of tetrathiabenzoquinone derivatives and the order‒disorder phase transition Acta Crystallographica Section B 57(1) (2001) 82-87
Space group: P c c n
Cell volume: 1311.9
Cell parameters: 9.758; 16.846; 7.981; 90; 90; 90;  

COD ID: 2103573
CIF file

HKL data

Original IUCr paper

Formula: - C20 H16 N2 O3 S -
Comments: Wolf, W. M. X-ray investigations of sulfur-containing fungicides. II. Intramolecular forces governing the conformation of four novel α-phenylazo- and α-phenylhydrazono-β-ketosulfones Acta Crystallographica Section B 57(1) (2001) 54-62
Space group: P -1
Cell volume: 866.2
Cell parameters: 5.6784; 11.3204; 14.1087; 102.441; 97.544; 97.447;  

COD ID: 2103574
CIF file

HKL data

Original IUCr paper

Formula: - C20 H15 N3 O5 S -
Comments: Wolf, W. M. X-ray investigations of sulfur-containing fungicides. II. Intramolecular forces governing the conformation of four novel α-phenylazo- and α-phenylhydrazono-β-ketosulfones Acta Crystallographica Section B 57(1) (2001) 54-62
Space group: P 1 21/n 1
Cell volume: 1863.6
Cell parameters: 14.8351; 6.0456; 21.0161; 90; 98.613; 90;  

COD ID: 2103575
CIF file

HKL data

Original IUCr paper

Formula: - C26 H20 N2 O3 S -
Comments: Wolf, W. M. X-ray investigations of sulfur-containing fungicides. II. Intramolecular forces governing the conformation of four novel α-phenylazo- and α-phenylhydrazono-β-ketosulfones Acta Crystallographica Section B 57(1) (2001) 54-62
Space group: P 1 21/c 1
Cell volume: 2283.2
Cell parameters: 13.285; 16.577; 11.421; 90; 114.8; 90;  

COD ID: 2103576
CIF file

HKL data

Original IUCr paper

Formula: - C27 H21 Cl N2 O3 S -
Comments: Wolf, W. M. X-ray investigations of sulfur-containing fungicides. II. Intramolecular forces governing the conformation of four novel α-phenylazo- and α-phenylhydrazono-β-ketosulfones Acta Crystallographica Section B 57(1) (2001) 54-62
Space group: P 1 21/c 1
Cell volume: 2391.6
Cell parameters: 14.155; 9.542; 18.822; 90; 109.82; 90;  

COD ID: 2103577
CIF file

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: P -3 1 c
Cell volume: 1042.53
Cell parameters: 10.13792; 10.13792; 11.71279; 90; 90; 120;  

COD ID: 2103578
CIF file

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: P -3 1 c
Cell volume: 1041.46
Cell parameters: 10.14778; 10.14778; 11.678; 90; 90; 120;  

COD ID: 2103579
CIF file

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: P -3 1 c
Cell volume: 1033.37
Cell parameters: 10.13896; 10.13896; 11.60753; 90; 90; 120;  

COD ID: 2103580
CIF file

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: P -3 1 c
Cell volume: 1027.44
Cell parameters: 10.14226; 10.14226; 11.5334; 90; 90; 120;  

COD ID: 2103581
CIF file

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: P -3 1 c
Cell volume: 1020.46
Cell parameters: 10.13168; 10.13168; 11.479; 90; 90; 120;  

COD ID: 2103582
CIF file

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: P -3 1 c
Cell volume: 1018.12
Cell parameters: 10.1375; 10.1375; 11.4395; 90; 90; 120;  

COD ID: 2103583
CIF file

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: P -3 1 c
Cell volume: 1012.38
Cell parameters: 10.13183; 10.13183; 11.3877; 90; 90; 120;  

COD ID: 2103584
CIF file

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: P -3 1 c
Cell volume: 1005.74
Cell parameters: 10.1264; 10.1264; 11.3252; 90; 90; 120;  

COD ID: 2103585
CIF file

HKL data

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: C 1 2/m 1
Cell volume: 317.529
Cell parameters: 9.8821; 5.9699; 5.3888; 90; 92.818; 90;  

COD ID: 2103586
CIF file

HKL data

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: C 1 2/m 1
Cell volume: 312.978
Cell parameters: 9.8358; 5.98562; 5.32344; 90; 93.004; 90;  

COD ID: 2103587
CIF file

HKL data

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: C 1 2/m 1
Cell volume: 312.158
Cell parameters: 9.8256; 5.9898; 5.31146; 90; 93.039; 90;  

COD ID: 2103588
CIF file

HKL data

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: C 1 2/m 1
Cell volume: 309.416
Cell parameters: 9.7966; 5.98422; 5.28547; 90; 93.069; 90;  

COD ID: 2103589
CIF file

HKL data

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: C 1 2/m 1
Cell volume: 308.248
Cell parameters: 9.7834; 5.99225; 5.26578; 90; 93.116; 90;  

COD ID: 2103590
CIF file

HKL data

Original IUCr paper

Formula: - Mo2 O8 Zr -
Comments: Krogh Andersen, Anne Marie; Carlson, Stefan High-pressure structures of α- and δ-ZrMo~2~O~8~ Acta Crystallographica Section B 57(1) (2001) 20-26
Space group: C 1 2/m 1
Cell volume: 306.52
Cell parameters: 9.7643; 5.99021; 5.24841; 90; 93.14; 90;  

COD ID: 2103591
CIF file

Original IUCr paper

Formula: - C6 H12 O5 -
Comments: Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides Acta Crystallographica Section B 57(2) (2001) 213-220
Space group: P 21 21 21
Cell volume: 778.5
Cell parameters: 5.906; 10.845; 12.154; 90; 90; 90;  

COD ID: 2103592
CIF file

Original IUCr paper

Formula: - C6 H12 O5 -
Comments: Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides Acta Crystallographica Section B 57(2) (2001) 213-220
Space group: P 21 21 21
Cell volume: 773.7
Cell parameters: 5.901; 10.791; 12.151; 90; 90; 90;  

COD ID: 2103593
CIF file

Original IUCr paper

Formula: - C6 H12 O5 -
Comments: Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides Acta Crystallographica Section B 57(2) (2001) 213-220
Space group: P 1 21 1
Cell volume: 365.971
Cell parameters: 6.2238; 8.1389; 7.3637; 90; 101.146; 90;  

COD ID: 2103594
CIF file

Original IUCr paper

Formula: - C6 H9.783 D2.217 O5 -
Comments: Evdokimov, Artem; Gilboa, A. Joseph; Koetzle, Thomas F.; Klooster, Wim T.; Schultz, Arthur J.; Mason, Sax A.; Albinati, Alberto; Frolow, Felix Structures of furanosides: geometrical analysis of low-temperature X-ray and neutron crystal structures of five crystalline methyl pentofuranosides Acta Crystallographica Section B 57(2) (2001) 213-220
Space group: P 21 21 21
Cell volume: 736.3
Cell parameters: 10.332; 15.446; 4.614; 90; 90; 90;  

COD ID: 2103595
CIF file

HKL data

Original IUCr paper

Formula: - C14 H14 O2 S -
Comments: Glidewell, Christopher; Harrison, William T. A.; Low, John N.; Sime, Jamie G.; Wardell, James L. Patterns of soft C—H···O hydrogen bonding in diaryl sulfones Acta Crystallographica Section B 57(2) (2001) 190-200
Space group: P 1 21/c 1
Cell volume: 2586.3
Cell parameters: 14.1773; 7.7437; 24.0161; 90; 101.205; 90;  

COD ID: 2103596
CIF file

HKL data

Original IUCr paper

Formula: - C15 H16 O2 S -
Comments: Glidewell, Christopher; Harrison, William T. A.; Low, John N.; Sime, Jamie G.; Wardell, James L. Patterns of soft C—H···O hydrogen bonding in diaryl sulfones Acta Crystallographica Section B 57(2) (2001) 190-200
Space group: P 1 21/n 1
Cell volume: 1347.95
Cell parameters: 8.3374; 14.9785; 10.9064; 90; 98.241; 90;  

COD ID: 2103597
CIF file

HKL data

Original IUCr paper

Formula: - C12 H9 Cl O2 S -
Comments: Glidewell, Christopher; Harrison, William T. A.; Low, John N.; Sime, Jamie G.; Wardell, James L. Patterns of soft C—H···O hydrogen bonding in diaryl sulfones Acta Crystallographica Section B 57(2) (2001) 190-200
Space group: P 1 21/c 1
Cell volume: 1156.2
Cell parameters: 13.239; 7.4521; 11.737; 90; 93.17; 90;  

COD ID: 2103598
CIF file

HKL data

Original IUCr paper

Formula: - C14 H13 Cl O2 S -
Comments: Glidewell, Christopher; Harrison, William T. A.; Low, John N.; Sime, Jamie G.; Wardell, James L. Patterns of soft C—H···O hydrogen bonding in diaryl sulfones Acta Crystallographica Section B 57(2) (2001) 190-200
Space group: P 1 21/n 1
Cell volume: 1321.6
Cell parameters: 12.9682; 7.5293; 14.4627; 90; 110.625; 90;  

COD ID: 2103599
CIF file

HKL data

Original IUCr paper

Formula: - C14 H14 O2 S -
Comments: Glidewell, Christopher; Harrison, William T. A.; Low, John N.; Sime, Jamie G.; Wardell, James L. Patterns of soft C—H···O hydrogen bonding in diaryl sulfones Acta Crystallographica Section B 57(2) (2001) 190-200
Space group: P 1 21/n 1
Cell volume: 1283.93
Cell parameters: 7.8879; 10.9788; 15.2489; 90; 103.525; 90;  

COD ID: 2103600
CIF file

HKL data

Original IUCr paper

Formula: - K N3 O4 -
Comments: Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A. Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study Acta Crystallographica Section B 57(2) (2001) 113-118
Space group: P 1 21/n 1
Cell volume: 422.71
Cell parameters: 6.5891; 9.0653; 7.1459; 90; 97.975; 90;  

COD ID: 2103601
CIF file

HKL data

Original IUCr paper

Formula: - K N3 O4 -
Comments: Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A. Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study Acta Crystallographica Section B 57(2) (2001) 113-118
Space group: P 1 21/n 1
Cell volume: 423.98
Cell parameters: 6.5918; 9.0778; 7.154; 90; 97.946; 90;  

COD ID: 2103602
CIF file

HKL data

Original IUCr paper

Formula: - K N3 O4 -
Comments: Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A. Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study Acta Crystallographica Section B 57(2) (2001) 113-118
Space group: P 1 21/n 1
Cell volume: 427.55
Cell parameters: 6.601; 9.1253; 7.1657; 90; 97.89; 90;  

COD ID: 2103603
CIF file

HKL data

Original IUCr paper

Formula: - K N3 O4 -
Comments: Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A. Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study Acta Crystallographica Section B 57(2) (2001) 113-118
Space group: P 1 21/n 1
Cell volume: 430.27
Cell parameters: 6.6029; 9.1694; 7.1731; 90; 97.805; 90;  

COD ID: 2103604
CIF file

HKL data

Original IUCr paper

Formula: - K N3 O4 -
Comments: Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A. Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study Acta Crystallographica Section B 57(2) (2001) 113-118
Space group: P 1 21/n 1
Cell volume: 434.725
Cell parameters: 6.6114; 9.2299; 7.1878; 90; 97.639; 90;  

COD ID: 2103605
CIF file

HKL data

Original IUCr paper

Formula: - K N3 O4 -
Comments: Hardie, Michaele J.; Martin, Anthony; Pinkerton, A. Alan; Zhurova, Elizabeth A. Anisotropic thermal expansion of potassium dinitramide: a variable-temperature crystallographic study Acta Crystallographica Section B 57(2) (2001) 113-118
Space group: P 1 21/n 1
Cell volume: 438.35
Cell parameters: 6.6162; 9.2831; 7.2; 90; 97.583; 90;  

COD ID: 2103606
CIF file

Original IUCr paper

Formula: - Mo O4 Tl2 -
Comments: Friese, Karen; Aroyo, Mois I.; Folcia, Cesar L.; Madariaga, Gotzon; Breczewski, Tomasz Characterization of the room-temperature phase of Tl~2~MoO~4~: crystal structure, symmetry mode analysis and second-harmonic generation measurements Acta Crystallographica Section B 57(2) (2001) 142-150
Space group: C 1 2 1
Cell volume: 545
Cell parameters: 10.565; 6.4178; 8.039; 90; 91.05; 90;  

COD ID: 2103607
CIF file

HKL data

Original IUCr paper

Formula: - C16 H16 N6 O12 -
Comments: Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 57(2) (2001) 201-212
Space group: P 1 21/c 1
Cell volume: 1011.76
Cell parameters: 5.4549; 10.6869; 17.442; 90; 95.704; 90;  

COD ID: 2103608
CIF file

HKL data

Original IUCr paper

Formula: - C18 H18 N6 O12 -
Comments: Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 57(2) (2001) 201-212
Space group: P -1
Cell volume: 550.57
Cell parameters: 6.697; 9.1655; 10.5942; 65.338; 85.985; 69.313;  

COD ID: 2103609
CIF file

HKL data

Original IUCr paper

Formula: - C20 H20.26 N6 O12.13 -
Comments: Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 57(2) (2001) 201-212
Space group: P 1 21/c 1
Cell volume: 2241.54
Cell parameters: 11.6228; 10.432; 19.635; 90; 109.689; 90;  

COD ID: 2103610
CIF file

HKL data

Original IUCr paper

Formula: - C20 H24 N6 O12 -
Comments: Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 57(2) (2001) 201-212
Space group: P 1 21/c 1
Cell volume: 1200.38
Cell parameters: 6.0665; 9.0635; 21.8452; 90; 92.031; 90;  

COD ID: 2103611
CIF file

HKL data

Original IUCr paper

Formula: - C20 H22 N6 O12 -
Comments: Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 57(2) (2001) 201-212
Space group: P 1 21/c 1
Cell volume: 1167.9
Cell parameters: 7.1399; 21.1749; 7.8255; 90; 99.199; 90;  

COD ID: 2103612
CIF file

HKL data

Original IUCr paper

Formula: - C26 H20 N6 O12 -
Comments: Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 57(2) (2001) 201-212
Space group: P 1 21/c 1
Cell volume: 1290.78
Cell parameters: 10.1344; 4.942; 27.5984; 90; 110.96; 90;  

COD ID: 2103613
CIF file

HKL data

Original IUCr paper

Formula: - C26 H18 N6 O12 -
Comments: Burchell, Colin J.; Glidewell, Christopher; Lough, Alan J.; Ferguson, George Salts of 3,5-dinitrobenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in one, two and three dimensions Acta Crystallographica Section B 57(2) (2001) 201-212
Space group: P -1
Cell volume: 635.2
Cell parameters: 4.7297; 9.3973; 14.8365; 104.528; 94.086; 92.793;  

COD ID: 2103614
CIF file

HKL data

Original IUCr paper

Formula: - Co F2 -
Comments: O'Toole, Nicholas J.; Streltsov, Victor A. Synchrotron X-ray analysis of the electron density in CoF~2~ and ZnF~2~ Acta Crystallographica Section B 57(2) (2001) 128-135
Space group: P 42/m n m
Cell volume: 70.099
Cell parameters: 4.6956; 4.6956; 3.1793; 90; 90; 90;  

COD ID: 2103615
CIF file

HKL data

Original IUCr paper

Formula: - F2 Zn -
Comments: O'Toole, Nicholas J.; Streltsov, Victor A. Synchrotron X-ray analysis of the electron density in CoF~2~ and ZnF~2~ Acta Crystallographica Section B 57(2) (2001) 128-135
Space group: P 42/m n m
Cell volume: 69.33
Cell parameters: 4.7038; 4.7038; 3.1336; 90; 90; 90;  

COD ID: 2103616
CIF file

HKL data

Original IUCr paper

Formula: - Al5 Er3 O12 -
Comments: Etschmann, Barbara; Streltsov, Victor; Ishizawa, Nobuo; Maslen, E. N. Synchrotron X-ray study of Er~3~Al~5~O~12~ and Yb~3~Al~5~O~12~ garnets Acta Crystallographica Section B 57(2) (2001) 136-141
Space group: I a -3 d
Cell volume: 1724.89
Cell parameters: 11.9928; 11.9928; 11.9928; 90; 90; 90;  

COD ID: 2103617
CIF file

HKL data

Original IUCr paper

Formula: - Al5 O12 Yb3 -
Comments: Etschmann, Barbara; Streltsov, Victor; Ishizawa, Nobuo; Maslen, E. N. Synchrotron X-ray study of Er~3~Al~5~O~12~ and Yb~3~Al~5~O~12~ garnets Acta Crystallographica Section B 57(2) (2001) 136-141
Space group: I a -3 d
Cell volume: 1701.61
Cell parameters: 11.9386; 11.9386; 11.9386; 90; 90; 90;  

COD ID: 2103618
CIF file

HKL data

Original IUCr paper

Formula: - K0.934 O2.94 Ta -
Comments: Arakcheeva, Alla; Chapuis, Gervais; Grinevitch, Vladimir; Shamray, Vladimir A novel perovskite-like Ta-bronze KTa~1+<i>z~</i>O~3~: preparation, stoichiometry, conductivity and crystal structure studies Acta Crystallographica Section B 57(2) (2001) 157-162
Space group: P m -3 m
Cell volume: 64.24
Cell parameters: 4.005; 4.005; 4.005; 90; 90; 90;  

COD ID: 2103619
CIF file

HKL data

Original IUCr paper

Formula: - C24 H32 O7 -
Comments: Palmer, Rex A.; Potter, Brian S.; Lisgarten, John N.; Fenn, Ruth H.; Mason, Sax A.; Mills, Owen S.; Robinson, Peter M.; Watt, C. Ian F. X-ray and neutron structure of 1,8-(3,6,9-trioxaundecane-1,11-diyldioxy)-9,10-dihydro-10,10-dimethylanthracene-9-ol (P326); some pitfalls of automatic data collection Acta Crystallographica Section B 57(3) (2001) 339-345
Space group: P 1 21 1
Cell volume: 2283.6
Cell parameters: 12.845; 14.575; 13.779; 90; 117.72; 90;  

COD ID: 2103620
CIF file

HKL data

Original IUCr paper

Formula: - C24 H32 O7 -
Comments: Palmer, Rex A.; Potter, Brian S.; Lisgarten, John N.; Fenn, Ruth H.; Mason, Sax A.; Mills, Owen S.; Robinson, Peter M.; Watt, C. Ian F. X-ray and neutron structure of 1,8-(3,6,9-trioxaundecane-1,11-diyldioxy)-9,10-dihydro-10,10-dimethylanthracene-9-ol (P326); some pitfalls of automatic data collection Acta Crystallographica Section B 57(3) (2001) 339-345
Space group: P 1 21 1
Cell volume: 2204.1
Cell parameters: 12.605; 14.458; 13.588; 90; 117.12; 90;  

COD ID: 2103621
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Wilson, Chick C. Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1) Acta Crystallographica Section B 57(3) (2001) 435-439
Space group: P b c a
Cell volume: 1155.58
Cell parameters: 17.42; 7.421; 8.939; 90; 90; 90;  

COD ID: 2103622
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Wilson, Chick C. Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1) Acta Crystallographica Section B 57(3) (2001) 435-439
Space group: P b c a
Cell volume: 1170.67
Cell parameters: 17.549; 7.446; 8.959; 90; 90; 90;  

COD ID: 2103623
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Wilson, Chick C. Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1) Acta Crystallographica Section B 57(3) (2001) 435-439
Space group: P b c a
Cell volume: 1174.57
Cell parameters: 17.576; 7.456; 8.963; 90; 90; 90;  

COD ID: 2103624
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Wilson, Chick C. Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1) Acta Crystallographica Section B 57(3) (2001) 435-439
Space group: P b c a
Cell volume: 1176.28
Cell parameters: 17.589; 7.458; 8.967; 90; 90; 90;  

COD ID: 2103625
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Wilson, Chick C. Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1) Acta Crystallographica Section B 57(3) (2001) 435-439
Space group: P b c a
Cell volume: 1177.13
Cell parameters: 17.595; 7.46; 8.968; 90; 90; 90;  

COD ID: 2103626
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Wilson, Chick C. Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1) Acta Crystallographica Section B 57(3) (2001) 435-439
Space group: P b c a
Cell volume: 1177.69
Cell parameters: 17.601; 7.461; 8.968; 90; 90; 90;  

COD ID: 2103627
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Wilson, Chick C. Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1) Acta Crystallographica Section B 57(3) (2001) 435-439
Space group: P b c a
Cell volume: 1178.58
Cell parameters: 17.608; 7.462; 8.97; 90; 90; 90;  

COD ID: 2103628
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Wilson, Chick C. Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1) Acta Crystallographica Section B 57(3) (2001) 435-439
Space group: P b c a
Cell volume: 1179.27
Cell parameters: 17.614; 7.463; 8.971; 90; 90; 90;  

COD ID: 2103629
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Wilson, Chick C. Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1) Acta Crystallographica Section B 57(3) (2001) 435-439
Space group: P b c a
Cell volume: 1179.87
Cell parameters: 17.621; 7.463; 8.972; 90; 90; 90;  

COD ID: 2103630
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Wilson, Chick C. Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1) Acta Crystallographica Section B 57(3) (2001) 435-439
Space group: P b c a
Cell volume: 1180.98
Cell parameters: 17.629; 7.465; 8.974; 90; 90; 90;  

COD ID: 2103631
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Wilson, Chick C. Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1) Acta Crystallographica Section B 57(3) (2001) 435-439
Space group: P b c a
Cell volume: 1181.94
Cell parameters: 17.639; 7.466; 8.975; 90; 90; 90;  

COD ID: 2103632
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Wilson, Chick C. Migration of the proton in the strong O—H···O hydrogen bond in urea‒phosphoric acid (1/1) Acta Crystallographica Section B 57(3) (2001) 435-439
Space group: P b c a
Cell volume: 1182.84
Cell parameters: 17.648; 7.467; 8.976; 90; 90; 90;  

COD ID: 2103633
CIF file

Original IUCr paper

Formula: - C32 H28 N2 O2 -
Comments: Nassimbeni, Luigi R.; Su, Hong Inclusion compounds of binaphthol with picolines: structures, selectivity and kinetics of desolvation Acta Crystallographica Section B 57(3) (2001) 394-398
Space group: C 1 2/c 1
Cell volume: 2533.2
Cell parameters: 18.274; 9.887; 14.021; 90; 90.41; 90;  

COD ID: 2103634
CIF file

Original IUCr paper

Formula: - C32 H28 N2 O2 -
Comments: Nassimbeni, Luigi R.; Su, Hong Inclusion compounds of binaphthol with picolines: structures, selectivity and kinetics of desolvation Acta Crystallographica Section B 57(3) (2001) 394-398
Space group: P 1 21/c 1
Cell volume: 2591.5
Cell parameters: 12.118; 13.2614; 16.581; 90; 103.448; 90;  

COD ID: 2103635
CIF file

Original IUCr paper

Formula: - C32 H28 N2 O2 -
Comments: Nassimbeni, Luigi R.; Su, Hong Inclusion compounds of binaphthol with picolines: structures, selectivity and kinetics of desolvation Acta Crystallographica Section B 57(3) (2001) 394-398
Space group: P b c a
Cell volume: 5027.8
Cell parameters: 18.119; 10.812; 25.665; 90; 90; 90;  

COD ID: 2103636
CIF file

Original IUCr paper

Formula: - C14 H12 N2 O2 -
Comments: Cole, Jacqueline M.; Howard, Judith A. K.; McIntyre, Garry J. Influence of hydrogen bonding on the second harmonic generation effect: neutron diffraction study of 4-nitro-4'-methylbenzylidene aniline Acta Crystallographica Section B 57(3) (2001) 410-414
Space group: P 1 c 1
Cell volume: 572.3
Cell parameters: 7.305; 11.495; 7.24; 90; 109.71; 90;  

COD ID: 2103637
CIF file

HKL data

Original IUCr paper

Formula: - Na0.282 O5 V2 -
Comments: Ozerov, Ruslan P.; Streltsov, Victor A.; Sobolev, Alexander N.; Figgis, Brian N.; Volkov, Victor L. Electron density in the sodium vanadium oxide bronze β-Na~<i>x~</i>V~2~O~5~ at 9K Acta Crystallographica Section B 57(3) (2001) 244-250
Space group: C 1 2/m 1
Cell volume: 525.4
Cell parameters: 15.35; 3.6115; 10.058; 90; 109.56; 90;  

COD ID: 2103638
CIF file

HKL data

Original IUCr paper

Formula: - C6 H9 N3 O2 S -
Comments: Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem Topochemically controlled solid-state methyl rearrangement in thiocyanurates Acta Crystallographica Section B 57(3) (2001) 428-434
Space group: P n m a
Cell volume: 890.5
Cell parameters: 15.231; 6.778; 8.626; 90; 90; 90;  

COD ID: 2103639
CIF file

HKL data

Original IUCr paper

Formula: - C6 H9 N3 O2 S -
Comments: Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem Topochemically controlled solid-state methyl rearrangement in thiocyanurates Acta Crystallographica Section B 57(3) (2001) 428-434
Space group: P 1 21/c 1
Cell volume: 865.8
Cell parameters: 7.657; 14.361; 8.433; 90; 110.99; 90;  

COD ID: 2103640
CIF file

HKL data

Original IUCr paper

Formula: - C6 H9 N3 O S2 -
Comments: Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem Topochemically controlled solid-state methyl rearrangement in thiocyanurates Acta Crystallographica Section B 57(3) (2001) 428-434
Space group: P 1 21 1
Cell volume: 928.63
Cell parameters: 7.7771; 7.9991; 14.9762; 90; 94.629; 90;  

COD ID: 2103641
CIF file

HKL data

Original IUCr paper

Formula: - C6 H9 N3 O S2 -
Comments: Greenberg, Mark; Shteiman, Vitaly; Kaftory, Menahem Topochemically controlled solid-state methyl rearrangement in thiocyanurates Acta Crystallographica Section B 57(3) (2001) 428-434
Space group: P n m a
Cell volume: 923.2
Cell parameters: 15.712; 6.73; 8.731; 90; 90; 90;  

COD ID: 2103642
CIF file

Original IUCr paper

Formula: - C2 H2 N4 O3 -
Comments: Zhurova, Elizabeth A.; Pinkerton, A. Alan Chemical bonding in energetic materials: β-NTO Acta Crystallographica Section B 57(3) (2001) 359-365
Space group: P 1 21/c 1
Cell volume: 450.291
Cell parameters: 9.3255; 5.4503; 9.04; 90; 101.474; 90;  

COD ID: 2103643
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Rodrigues, Bernardo Lages; Tellgren, Roland; Fernandes, Nelson G. Experimental electron density of urea‒phosphoric acid (1/1) at 100K Acta Crystallographica Section B 57(3) (2001) 353-358
Space group: P b c a
Cell volume: 1161
Cell parameters: 17.43; 7.43; 8.97; 90; 90; 90;  

COD ID: 2103644
CIF file

Original IUCr paper

Formula: - C H7 N2 O5 P -
Comments: Rodrigues, Bernardo Lages; Tellgren, Roland; Fernandes, Nelson G. Experimental electron density of urea‒phosphoric acid (1/1) at 100K Acta Crystallographica Section B 57(3) (2001) 353-358
Space group: P b c a
Cell volume: 1164.31
Cell parameters: 17.4527; 7.4465; 8.9589; 90; 90; 90;  

COD ID: 2103645
CIF file

Original IUCr paper

Formula: - Be3 F12 K2 Mn2 -
Comments: Guelylah, A.; Madariaga, G.; Petricek, V.; Breczewski, T.; Aroyo, M. I.; Bocanegra, E. H. X-ray diffraction study of the phase transition of K~2~Mn~2~(BeF~4~)~3~: a new type of low-temperature structure for langbeinites Acta Crystallographica Section B 57(3) (2001) 221-230
Space group: P 1 1 21
Cell volume: 2034.2
Cell parameters: 10.069; 20.136; 10.0329; 90; 90; 90.01;  

COD ID: 2103646
CIF file

HKL data

Original IUCr paper

Formula: - Cl4 Cs2 Hg -
Comments: Bagautdinov, Bagautdin; Jobst, Andreas; Ludecke, Jens; van Smaalen, Sander Structural basis for the phase transitions of Cs~2~HgCl~4~ Acta Crystallographica Section B 57(3) (2001) 231-236
Space group: P 1 21/c 1
Cell volume: 1950.92
Cell parameters: 9.7105; 7.4691; 26.8992; 90; 90.368; 90;  

COD ID: 2103647
CIF file

HKL data

Original IUCr paper

Formula: - C11 H22 N2 O6 -
Comments: Saraswathi, N. T.; Manoj, N.; Vijayan, M. X-ray studies on crystalline complexes involving amino acids and peptides. XXXVII. Novel aggregation patterns and effect of chirality in the complexes of <small>DL</small>- and <small>L</small>-lysine with glutaric acid Acta Crystallographica Section B 57(3) (2001) 366-371
Space group: I 1 a 1
Cell volume: 1384.4
Cell parameters: 10.398; 8.662; 15.393; 90; 93.06; 90;  

COD ID: 2103648
CIF file

HKL data

Original IUCr paper

Formula: - C11 H22 N2 O6 -
Comments: Saraswathi, N. T.; Manoj, N.; Vijayan, M. X-ray studies on crystalline complexes involving amino acids and peptides. XXXVII. Novel aggregation patterns and effect of chirality in the complexes of <small>DL</small>- and <small>L</small>-lysine with glutaric acid Acta Crystallographica Section B 57(3) (2001) 366-371
Space group: P 31
Cell volume: 1058.5
Cell parameters: 9.044; 9.044; 14.943; 90; 90; 120;  

COD ID: 2103649
CIF file

HKL data

Original IUCr paper

Formula: - C22 H22 Co N8 O4 -
Comments: Deák, Andrea; Kálmán, Alajos; Párkányi, László; Haiduc, Ionel Hydrogen-bonded hexagonal and pseudo-hexagonal grid motifs in supramolecular cobalt(II) and nickel(II) cupferronato complexes incorporating neutral N-donors with intermolecular NH~2~ connectors and solvent molecules Acta Crystallographica Section B 57(3) (2001) 303-310
Space group: P 1 21/n 1
Cell volume: 2395
Cell parameters: 8.27; 11.579; 25.019; 90; 91.42; 90;  

COD ID: 2103650
CIF file

HKL data

Original IUCr paper

Formula: - C22 H22 N8 Ni O4 -
Comments: Deák, Andrea; Kálmán, Alajos; Párkányi, László; Haiduc, Ionel Hydrogen-bonded hexagonal and pseudo-hexagonal grid motifs in supramolecular cobalt(II) and nickel(II) cupferronato complexes incorporating neutral N-donors with intermolecular NH~2~ connectors and solvent molecules Acta Crystallographica Section B 57(3) (2001) 303-310
Space group: P 1 21/n 1
Cell volume: 2384.5
Cell parameters: 8.321; 11.535; 24.852; 90; 91.55; 90;  

COD ID: 2103651
CIF file

HKL data

Original IUCr paper

Formula: - C23 H25 Co N9 O5 -
Comments: Deák, Andrea; Kálmán, Alajos; Párkányi, László; Haiduc, Ionel Hydrogen-bonded hexagonal and pseudo-hexagonal grid motifs in supramolecular cobalt(II) and nickel(II) cupferronato complexes incorporating neutral N-donors with intermolecular NH~2~ connectors and solvent molecules Acta Crystallographica Section B 57(3) (2001) 303-310
Space group: P -1
Cell volume: 1271.6
Cell parameters: 10.225; 10.214; 14.163; 73.34; 68.18; 70.45;  

COD ID: 2103652
CIF file

Original IUCr paper

Formula: ?
Comments: Righi, Lara; Calestani, Gianluca; Gemmi, Mauro; Migliori, Andrea; Bettinelli, Marco Neutron diffraction study of φ-Bi~8~Pb~5~O~17~: structure refinement and analysis of cationic ordering Acta Crystallographica Section B 57(3) (2001) 237-243
Space group: P -1
Cell volume: 659.553
Cell parameters: 7.45067; 14.1768; 7.21007; 97.19; 118.473; 80.6428;  

COD ID: 2103653
CIF file

Original IUCr paper

Formula: - C5 H15 Br0.72 Ca Cl1.28 N O4 -
Comments: Vieira, L. G.; Hernandez, O.; Ribeiro, J. L.; Cousson, A.; Kiat, J.-M.; Chaves, M. R.; Almeida, A.; Klöpperpieper, A. Structure of the X-phase of 38% brominated betaine calcium chloride dihydrate Acta Crystallographica Section B 57(3) (2001) 296-302
Space group: P n m a
Cell volume: 1228
Cell parameters: 11.02; 10.27; 10.85; 90; 90; 90;  

COD ID: 2103654
CIF file

Original IUCr paper

Formula: - C5 H15 Br0.77 Ca Cl1.23 N O4 -
Comments: Vieira, L. G.; Hernandez, O.; Ribeiro, J. L.; Cousson, A.; Kiat, J.-M.; Chaves, M. R.; Almeida, A.; Klöpperpieper, A. Structure of the X-phase of 38% brominated betaine calcium chloride dihydrate Acta Crystallographica Section B 57(3) (2001) 296-302
Space group:
Cell volume: 1190
Cell parameters: 11.04; 10.22; 10.55; 90; 90; 90;  

COD ID: 2103655
CIF file

Original IUCr paper

Formula: - C45 H86 O6 -
Comments: van Langevelde, Arjen; Peschar, René; Schenk, Henk Structure of β-trimyristin and β-tristearin from high-resolution X-ray powder diffraction data Acta Crystallographica Section B 57(3) (2001) 372-377
Space group: P -1
Cell volume: 2314.7
Cell parameters: 12.0626; 41.714; 5.4588; 73.388; 100.408; 118.274;  

COD ID: 2103656
CIF file

Original IUCr paper

Formula: - C57 H110 O6 -
Comments: van Langevelde, Arjen; Peschar, René; Schenk, Henk Structure of β-trimyristin and β-tristearin from high-resolution X-ray powder diffraction data Acta Crystallographica Section B 57(3) (2001) 372-377
Space group: P -1
Cell volume: 2879.6
Cell parameters: 12.0053; 51.902; 5.445; 73.752; 100.256; 117.691;  

COD ID: 2103657
CIF file

Original IUCr paper

Formula: - C13.144 H40.074 N12 O6 -
Comments: Peral, I.; Madariaga, G.; Petricek, V.; Breczewski, T. Superspace description of the structure of the composite crystal urea/<i>n</i>-octane at room temperature Acta Crystallographica Section B 57(3) (2001) 378-385
Space group:
Cell volume: 645.7
Cell parameters: 8.226; 8.226; 11.019; 90; 90; 120;  

COD ID: 2103658
CIF file

HKL data

Original IUCr paper

Formula: - C13 H20 N2 O5 -
Comments: Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Gregson, Richard M.; Glidewell, Christopher Hydrated salts of 3,5-dihydroxybenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in two and three dimensions Acta Crystallographica Section B 57(3) (2001) 329-338
Space group: P 1 21/c 1
Cell volume: 2816.4
Cell parameters: 9.4478; 11.7644; 25.9024; 90; 101.969; 90;  

COD ID: 2103659
CIF file

HKL data

Original IUCr paper

Formula: - C18 H30 N2 O12 -
Comments: Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Gregson, Richard M.; Glidewell, Christopher Hydrated salts of 3,5-dihydroxybenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in two and three dimensions Acta Crystallographica Section B 57(3) (2001) 329-338
Space group: P -1
Cell volume: 543.02
Cell parameters: 7.7793; 8.1656; 9.0662; 104.981; 97.134; 98.066;  

COD ID: 2103660
CIF file

HKL data

Original IUCr paper

Formula: - C16 H24 N2 O10 -
Comments: Burchell, Colin J.; Ferguson, George; Lough, Alan J.; Gregson, Richard M.; Glidewell, Christopher Hydrated salts of 3,5-dihydroxybenzoic acid with organic diamines: hydrogen-bonded supramolecular structures in two and three dimensions Acta Crystallographica Section B 57(3) (2001) 329-338
Space group: P 1 21/c 1
Cell volume: 921.97
Cell parameters: 8.0804; 10.6021; 11.3988; 90; 109.243; 90;  

COD ID: 2103661
CIF file

HKL data

Original IUCr paper

Formula: - C7 H14 Li N5 O7 -
Comments: Low, John N.; Moreno Sánchez, Jose M.; Arranz Mascarós, Paloma; Godino Salido, M. Luz; López Garzon, Rafael; Cobo Domingo, Justo; Glidewell, Christopher Hydrated metal complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular‒electronic and supramolecular structures Acta Crystallographica Section B 57(3) (2001) 317-328
Space group: C 1 2/c 1
Cell volume: 2419.2
Cell parameters: 24.7736; 7.6525; 14.0096; 90; 114.375; 90;  

COD ID: 2103662
CIF file

Original IUCr paper

Formula: - C7 H11 N5 Na O5.5 -
Comments: Low, John N.; Moreno Sánchez, Jose M.; Arranz Mascarós, Paloma; Godino Salido, M. Luz; López Garzon, Rafael; Cobo Domingo, Justo; Glidewell, Christopher Hydrated metal complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular‒electronic and supramolecular structures Acta Crystallographica Section B 57(3) (2001) 317-328
Space group: P -1
Cell volume: 1074.95
Cell parameters: 7.5702; 11.5237; 13.3743; 104.435; 97.8415; 103.5;  

COD ID: 2103663
CIF file

HKL data

Original IUCr paper

Formula: - C7 H10 K N5 O5 -
Comments: Low, John N.; Moreno Sánchez, Jose M.; Arranz Mascarós, Paloma; Godino Salido, M. Luz; López Garzon, Rafael; Cobo Domingo, Justo; Glidewell, Christopher Hydrated metal complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular‒electronic and supramolecular structures Acta Crystallographica Section B 57(3) (2001) 317-328
Space group: P 1 21/c 1
Cell volume: 1083.38
Cell parameters: 7.8114; 16.4811; 8.556; 90; 100.408; 90;  

COD ID: 2103664
CIF file

Original IUCr paper

Formula: - C14 H36 Mn N10 O18 -
Comments: Low, John N.; Moreno Sánchez, Jose M.; Arranz Mascarós, Paloma; Godino Salido, M. Luz; López Garzon, Rafael; Cobo Domingo, Justo; Glidewell, Christopher Hydrated metal complexes of <i>N</i>-(6-amino-3,4-dihydro-3-methyl-5-nitroso-4-oxopyrimidin-2-yl)glycinate: interplay of molecular, molecular‒electronic and supramolecular structures Acta Crystallographica Section B 57(3) (2001) 317-328
Space group: P -1
Cell volume: 700.8
Cell parameters: 7.4476; 8.2351; 12.6372; 105.258; 92.153; 108.94;  

COD ID: 2103665
CIF file

Original IUCr paper

Formula: - C13.144 H36.502 N12 O9.572 -
Comments: Peral, I.; Madariaga, G.; Petříček, V.; Breczewski, T. Average structure of the composite crystal urea/octanedioic acid at room temperature within the superspace formalism Acta Crystallographica Section B 57(3) (2001) 386-393
Space group:
Cell volume: 1913
Cell parameters: 14.185; 14.185; 10.978; 90; 90; 120;  

COD ID: 2103666
CIF file

HKL data

Original IUCr paper

Formula: - C18 H15.3 N O7.15 -
Comments: Rychlewska, Urszula; Warżajtis, Beata Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid Acta Crystallographica Section B 57(3) (2001) 415-427
Space group: P 1 21 1
Cell volume: 1777.45
Cell parameters: 7.393; 19.95; 12.163; 90; 97.77; 90;  

COD ID: 2103667
CIF file

HKL data

Original IUCr paper

Formula: - C19 H19 N O8 -
Comments: Rychlewska, Urszula; Warżajtis, Beata Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid Acta Crystallographica Section B 57(3) (2001) 415-427
Space group: P 21 21 21
Cell volume: 1908.6
Cell parameters: 8.7977; 10.752; 20.177; 90; 90; 90;  

COD ID: 2103668
CIF file

HKL data

Original IUCr paper

Formula: - C20 H19 N O7 -
Comments: Rychlewska, Urszula; Warżajtis, Beata Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid Acta Crystallographica Section B 57(3) (2001) 415-427
Space group: P 21 21 21
Cell volume: 1942.8
Cell parameters: 8.6699; 12.0105; 18.657; 90; 90; 90;  

COD ID: 2103669
CIF file

HKL data

Original IUCr paper

Formula: - C20 H20 N2 O6 -
Comments: Rychlewska, Urszula; Warżajtis, Beata Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid Acta Crystallographica Section B 57(3) (2001) 415-427
Space group: P 21 21 21
Cell volume: 1884.4
Cell parameters: 8.9153; 11.758; 17.976; 90; 90; 90;  

COD ID: 2103670
CIF file

HKL data

Original IUCr paper

Formula: - C21 H22 N2 O6 -
Comments: Rychlewska, Urszula; Warżajtis, Beata Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid Acta Crystallographica Section B 57(3) (2001) 415-427
Space group: P 1 21 1
Cell volume: 1030.62
Cell parameters: 8.901; 11.272; 10.414; 90; 99.47; 90;  

COD ID: 2103671
CIF file

HKL data

Original IUCr paper

Formula: - C19 H17 N O7 -
Comments: Rychlewska, Urszula; Warżajtis, Beata Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid Acta Crystallographica Section B 57(3) (2001) 415-427
Space group: P 21 21 21
Cell volume: 1888
Cell parameters: 7.193; 14.515; 18.083; 90; 90; 90;  

COD ID: 2103672
CIF file

HKL data

Original IUCr paper

Formula: - C21 H21 N O7 -
Comments: Rychlewska, Urszula; Warżajtis, Beata Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid Acta Crystallographica Section B 57(3) (2001) 415-427
Space group: P 1 21 1
Cell volume: 991.7
Cell parameters: 8.127; 14.109; 8.733; 90; 97.97; 90;  

COD ID: 2103673
CIF file

HKL data

Original IUCr paper

Formula: - C20 H18 N2 O5 -
Comments: Rychlewska, Urszula; Warżajtis, Beata Interplay between dipolar, stacking and hydrogen-bond interactions in the crystal structures of unsymmetrically substituted esters, amides and nitriles of (<i>R</i>,<i>R</i>)-<i>O</i>,<i>O</i>'-dibenzoyltartaric acid Acta Crystallographica Section B 57(3) (2001) 415-427
Space group: P 1 21 1
Cell volume: 931.4
Cell parameters: 7.749; 14.144; 9.063; 90; 110.34; 90;  

COD ID: 2103674
CIF file

Original IUCr paper

Formula: - C6 H6 N2 O2 -
Comments: Wójcik, Grażyna; Holband, Jolanta Variable-temperature crystal structure studies of <i>m</i>-nitroaniline Acta Crystallographica Section B 57(3) (2001) 346-352
Space group: P c a 21
Cell volume: 615.13
Cell parameters: 18.873; 6.5212; 4.998; 90; 90; 90;  

COD ID: 2103675
CIF file

Original IUCr paper

Formula: - C63 H119.65 O37.13 -
Comments: Makedonopoulou, Stella; Yannakopoulou, Konstantina; Mentzafos, Demetrios; Lamzin, Victor; Popov, Alexander; Mavridis, Irene M. Non-covalent interactions in the crystallization of the enantiomers of 1,7-dioxaspiro[5.5]undecane (olive fly sex pheromone) by enantiospecific cyclodextrin hosts, hexakis(2,3,6-tri-<i>O</i>-methyl)-α-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin Acta Crystallographica Section B 57(3) (2001) 399-409
Space group: P 21 21 21
Cell volume: 7426
Cell parameters: 14.636; 21.637; 23.45; 90; 90; 90;  

COD ID: 2103676
CIF file

Original IUCr paper

Formula: - C72 H129.14 O37.57 -
Comments: Makedonopoulou, Stella; Yannakopoulou, Konstantina; Mentzafos, Demetrios; Lamzin, Victor; Popov, Alexander; Mavridis, Irene M. Non-covalent interactions in the crystallization of the enantiomers of 1,7-dioxaspiro[5.5]undecane (olive fly sex pheromone) by enantiospecific cyclodextrin hosts, hexakis(2,3,6-tri-<i>O</i>-methyl)-α-cyclodextrin and heptakis(2,3,6-tri-<i>O</i>-methyl)-β-cyclodextrin Acta Crystallographica Section B 57(3) (2001) 399-409
Space group: P 21 21 21
Cell volume: 8275
Cell parameters: 10.936; 25.53; 29.64; 90; 90; 90;  

COD ID: 2103677
CIF file

HKL data

Original IUCr paper

Formula: - C8 H8 Cu N6 O6 -
Comments: Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions Acta Crystallographica Section B 57(3) (2001) 288-295
Space group: P c a 21
Cell volume: 1223.9
Cell parameters: 9.991; 8.531; 14.359; 90; 90; 90;  

COD ID: 2103678
CIF file

HKL data

Original IUCr paper

Formula: - C8 H8 Cu N6 O6 -
Comments: Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions Acta Crystallographica Section B 57(3) (2001) 288-295
Space group: P c a 21
Cell volume: 1199.1
Cell parameters: 10; 8.4519; 14.187; 90; 90; 90;  

COD ID: 2103679
CIF file

HKL data

Original IUCr paper

Formula: - C4 H8 Cu N4 O8 -
Comments: Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions Acta Crystallographica Section B 57(3) (2001) 288-295
Space group: C 1 2/c 1
Cell volume: 973.3
Cell parameters: 12.408; 11.511; 7.518; 90; 114.99; 90;  

COD ID: 2103680
CIF file

HKL data

Original IUCr paper

Formula: - C8 H12 Cu N6 O8 -
Comments: Yasui, Masanori; Ishikawa, Yoshimitsu; Akiyama, Naoya; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Dipyrimidine‒copper(II) dinitrate complexes showing magnetic interactions Acta Crystallographica Section B 57(3) (2001) 288-295
Space group: P 1 21/a 1
Cell volume: 694.1
Cell parameters: 7.1658; 14.105; 7.5358; 90; 114.324; 90;  

COD ID: 2103681
CIF file

Original IUCr paper

Formula: - C8 H2 Cl4 K2 O8 -
Comments: Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I. Asymmetric hydrogen bonds in centrosymmetric environment: neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate Acta Crystallographica Section B 57(3) (2001) 311-316
Space group: P 1
Cell volume: 349.9
Cell parameters: 5.083; 7.881; 8.863; 81.72; 84.78; 89.59;  

COD ID: 2103682
CIF file

Original IUCr paper

Formula: - C8 H2 Cl4 K2 O8 -
Comments: Olovsson, I.; Ptasiewicz-Bak, H.; Gustafsson, T.; Majerz, I. Asymmetric hydrogen bonds in centrosymmetric environment: neutron study of very short hydrogen bonds in potassium hydrogen dichloromaleate Acta Crystallographica Section B 57(3) (2001) 311-316
Space group: P 1
Cell volume: 341.9
Cell parameters: 5.022; 7.827; 8.838; 80.99; 85.13; 88.95;  

COD ID: 2103683
CIF file

Original IUCr paper

Formula: - Ca2 Co O7 Si2 -
Comments: Hagiya, Kenji; Kusaka, Katsuhiro; Ohmasa, Masaaki; Iishi, Kazuaki Commensurate structure of Ca~2~CoSi~2~O~7~, a new twinned orthorhombic structure Acta Crystallographica Section B 57(3) (2001) 271-277
Space group: P 21 21 2
Cell volume: 2777.4
Cell parameters: 23.51; 23.51; 5.025; 90; 90; 90;  

COD ID: 2103684
CIF file

Original IUCr paper

Formula: - C10 H8 Br4 O4 -
Comments: Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C. Crystal engineering in the <i>gem</i>-alkynol family: the key role of water in the structure of 2,3,5,6-tetrabromo-<i>trans</i>-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol dihydrate determined by X-ray and neutron diffraction at 150K Acta Crystallographica Section B 57(4) (2001) 560-566
Space group: P 42/n c m :2
Cell volume: 1398.8
Cell parameters: 12.6551; 12.6551; 8.734; 90; 90; 90;  

COD ID: 2103685
CIF file

HKL data

Original IUCr paper

Formula: - C10 H8 Br4 O4 -
Comments: Bilton, Clair; Howard, Judith A. K.; Madhavi, N. N. L.; Desiraju, Gautam R.; Allen, Frank H.; Wilson, Chick C. Crystal engineering in the <i>gem</i>-alkynol family: the key role of water in the structure of 2,3,5,6-tetrabromo-<i>trans</i>-1,4-diethynyl-cyclohexa-2,5-diene-1,4-diol dihydrate determined by X-ray and neutron diffraction at 150K Acta Crystallographica Section B 57(4) (2001) 560-566
Space group: P 42/n c m :2
Cell volume: 1398.8
Cell parameters: 12.6551; 12.6551; 8.734; 90; 90; 90;  

COD ID: 2103686
CIF file

Original IUCr paper

Formula: - C8 H16 N2 O3 S -
Comments: Guillot, Régis; Muzet, Nicolas; Dahaoui, Slimane; Lecomte, Claude; Jelsch, Christian Experimental and theoretical charge density of <small>DL</small>-alanyl-methionine Acta Crystallographica Section B 57(4) (2001) 567-578
Space group: P 1 21/c 1
Cell volume: 1052.7
Cell parameters: 13.089; 5.329; 15.921; 90; 108.57; 90;  

COD ID: 2103687
CIF file

HKL data

Original IUCr paper

Formula: - C10 H10 Li2 O8 S2 -
Comments: Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate Acta Crystallographica Section B 57(4) (2001) 520-530
Space group: P 1 21/c 1
Cell volume: 670.96
Cell parameters: 10.8901; 7.8842; 8.0619; 90; 104.228; 90;  

COD ID: 2103688
CIF file

HKL data

Original IUCr paper

Formula: - C10 H10 Na2 O8 S2 -
Comments: Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate Acta Crystallographica Section B 57(4) (2001) 520-530
Space group: P 1 21/c 1
Cell volume: 688.24
Cell parameters: 11.6398; 5.5507; 10.7148; 90; 96.187; 90;  

COD ID: 2103689
CIF file

HKL data

Original IUCr paper

Formula: - C10 H10 K2 O8 S2 -
Comments: Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate Acta Crystallographica Section B 57(4) (2001) 520-530
Space group: P 1 21/c 1
Cell volume: 736.8
Cell parameters: 11.0278; 8.5748; 7.9845; 90; 102.631; 90;  

COD ID: 2103690
CIF file

HKL data

Original IUCr paper

Formula: - C10 H18 Mg O12 S2 -
Comments: Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate Acta Crystallographica Section B 57(4) (2001) 520-530
Space group: P 1 21/c 1
Cell volume: 853.25
Cell parameters: 13.1955; 6.6981; 9.6616; 90; 92.304; 90;  

COD ID: 2103691
CIF file

HKL data

Original IUCr paper

Formula: - C10 H10 Ca O8 S2 -
Comments: Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate Acta Crystallographica Section B 57(4) (2001) 520-530
Space group: P -1
Cell volume: 689.48
Cell parameters: 7.8971; 8.175; 11.2358; 73.945; 83.063; 83.435;  

COD ID: 2103692
CIF file

HKL data

Original IUCr paper

Formula: - C10 H8 O7 S2 Sr -
Comments: Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate Acta Crystallographica Section B 57(4) (2001) 520-530
Space group: P n m a
Cell volume: 1204.1
Cell parameters: 9.5424; 21.705; 5.8137; 90; 90; 90;  

COD ID: 2103693
CIF file

HKL data

Original IUCr paper

Formula: - C10 H8 Ba O7 S2 -
Comments: Cai, Jiwen; Chen, Cai-Hong; Liao, Cheng-Zhu; Feng, Xiao-Long; Chen, Xiao-Ming Solid-state structures of group 1 and group 2 metal 1,5-naphthalenedisulfonates: systematic investigation of lamellar three-dimensional networks constructed by metal arenedisulfonate Acta Crystallographica Section B 57(4) (2001) 520-530
Space group: P n m a
Cell volume: 1291
Cell parameters: 9.7662; 22.08; 5.987; 90; 90; 90;  

COD ID: 2103694
CIF file

HKL data

Original IUCr paper

Formula: - C25 H14 N2 O4 -
Comments: Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition Acta Crystallographica Section B 57(4) (2001) 507-516
Space group: P 1 21/c 1
Cell volume: 1938.4
Cell parameters: 7.758; 15.55; 17.179; 90; 110.72; 90;  

COD ID: 2103695
CIF file

HKL data

Original IUCr paper

Formula: - C25 H14 N2 O4 -
Comments: Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition Acta Crystallographica Section B 57(4) (2001) 507-516
Space group: P 1 21/c 1
Cell volume: 3851.3
Cell parameters: 15.444; 15.513; 17.111; 90; 110.04; 90;  

COD ID: 2103696
CIF file

HKL data

Original IUCr paper

Formula: - C25 H14 N2 O4 -
Comments: Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition Acta Crystallographica Section B 57(4) (2001) 507-516
Space group: P 1 21/c 1
Cell volume: 3812.5
Cell parameters: 15.383; 15.424; 17.026; 90; 109.31; 90;  

COD ID: 2103697
CIF file

HKL data

Original IUCr paper

Formula: - C25 H14 N2 O4 -
Comments: Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition Acta Crystallographica Section B 57(4) (2001) 507-516
Space group: P 1 21/c 1
Cell volume: 3804
Cell parameters: 15.372; 15.414; 17.004; 90; 109.24; 90;  

COD ID: 2103698
CIF file

HKL data

Original IUCr paper

Formula: - C28 H32 Si -
Comments: Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition Acta Crystallographica Section B 57(4) (2001) 507-516
Space group: P -1
Cell volume: 2313.8
Cell parameters: 8.012; 16.171; 18.28; 80.78; 83.45; 84.07;  

COD ID: 2103699
CIF file

HKL data

Original IUCr paper

Formula: - C25 H14 N2 O4 -
Comments: Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition Acta Crystallographica Section B 57(4) (2001) 507-516
Space group: P 1 21/c 1
Cell volume: 1925.6
Cell parameters: 7.722; 15.513; 17.111; 90; 110.04; 90;  

COD ID: 2103700
CIF file

HKL data

Original IUCr paper

Formula: - C28 H32 Si -
Comments: Xia, Aibing; Selegue, John P.; Carrillo, Alberto; Patrick, Brian O.; Parkin, Sean; Brock, Carolyn Pratt Two fluoradene derivatives: pseudosymmetry, eccentric ellipsoids and a phase transition Acta Crystallographica Section B 57(4) (2001) 507-516
Space group: B -1
Cell volume: 2313.8
Cell parameters: 8.012; 16.171; 18.28; 80.78; 83.45; 84.07;  

COD ID: 2103701
CIF file

HKL data

Original IUCr paper

Formula: - C16 H23 Co N6 O4 -
Comments: Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes Acta Crystallographica Section B 57(4) (2001) 551-559
Space group: P 1 21 1
Cell volume: 1944.9
Cell parameters: 16.0665; 12.5929; 9.644; 90; 94.626; 90;  

COD ID: 2103702
CIF file

HKL data

Original IUCr paper

Formula: - C16 H23 Co N6 O4 -
Comments: Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes Acta Crystallographica Section B 57(4) (2001) 551-559
Space group: P 1 21 1
Cell volume: 1942.7
Cell parameters: 16.023; 12.6272; 9.628; 90; 94.23; 90;  

COD ID: 2103703
CIF file

HKL data

Original IUCr paper

Formula: - C16 H22 Co D N6 O4 -
Comments: Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes Acta Crystallographica Section B 57(4) (2001) 551-559
Space group: P 1 21 1
Cell volume: 1942.7
Cell parameters: 16.023; 12.627; 9.628; 90; 94.23; 90;  

COD ID: 2103704
CIF file

HKL data

Original IUCr paper

Formula: - C16 H29 Co N6 O4 -
Comments: Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes Acta Crystallographica Section B 57(4) (2001) 551-559
Space group: P 21 21 21
Cell volume: 4091.6
Cell parameters: 11.4309; 11.6591; 30.701; 90; 90; 90;  

COD ID: 2103705
CIF file

HKL data

Original IUCr paper

Formula: - C16 H29 Co N6 O4 -
Comments: Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes Acta Crystallographica Section B 57(4) (2001) 551-559
Space group: P 21 21 21
Cell volume: 4114.53
Cell parameters: 11.4039; 11.7354; 30.7446; 90; 90; 90;  

COD ID: 2103706
CIF file

HKL data

Original IUCr paper

Formula: - C16 H28 Co D N6 O4 -
Comments: Ohhara, Takashi; Uekusa, Hidehiro; Ohashi, Yuji; Tanaka, Ichiro; Kumazawa, Shintaro; Niimura, Nobuo Direct observation of deuterium migration in crystalline-state reaction by single-crystal neutron diffraction. III. Photoracemization of 1-cyanoethyl cobaloxime complexes Acta Crystallographica Section B 57(4) (2001) 551-559
Space group: P 21 21 21
Cell volume: 4114.53
Cell parameters: 11.4039; 11.7354; 30.7446; 90; 90; 90;  

COD ID: 2103707
CIF file

HKL data

Original IUCr paper

Formula: - C6 H11 N O2 -
Comments: Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives Acta Crystallographica Section B 57(4) (2001) 539-550
Space group: P 1 21/c 1
Cell volume: 648.6
Cell parameters: 11.693; 7.225; 7.902; 90; 103.7; 90;  

COD ID: 2103708
CIF file

HKL data

Original IUCr paper

Formula: - C6 H11 N O2 -
Comments: Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives Acta Crystallographica Section B 57(4) (2001) 539-550
Space group: P c a 21
Cell volume: 685.4
Cell parameters: 9.879; 8.41; 8.25; 90; 90; 90;  

COD ID: 2103709
CIF file

Original IUCr paper

Formula: - C10 H19 N O2 -
Comments: Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives Acta Crystallographica Section B 57(4) (2001) 539-550
Space group: P 1 21/c 1
Cell volume: 1126.5
Cell parameters: 13.246; 6.988; 13.299; 90; 113.78; 90;  

COD ID: 2103710
CIF file

HKL data

Original IUCr paper

Formula: - C10 H18 O3 -
Comments: Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives Acta Crystallographica Section B 57(4) (2001) 539-550
Space group: P -1
Cell volume: 516
Cell parameters: 5.931; 6.2; 15.951; 84.3; 89.97; 62.28;  

COD ID: 2103711
CIF file

HKL data

Original IUCr paper

Formula: - C10 H18 O3 -
Comments: Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives Acta Crystallographica Section B 57(4) (2001) 539-550
Space group: P 1 21/c 1
Cell volume: 1035.2
Cell parameters: 16.862; 6.104; 10.519; 90; 107.03; 90;  

COD ID: 2103712
CIF file

HKL data

Original IUCr paper

Formula: - C10 H18 O3 -
Comments: Kálmán, Alajos; Argay, Gyula; Fábián, László; Bernáth, Gábor; Fülöp, Ferenc Basic forms of supramolecular self-assembly organized by parallel and antiparallel hydrogen bonds in the racemic crystal structures of six disubstituted and trisubstituted cyclopentane derivatives Acta Crystallographica Section B 57(4) (2001) 539-550
Space group: P 1 21/n 1
Cell volume: 1020.2
Cell parameters: 6.17; 21.749; 7.892; 90; 105.57; 90;  

COD ID: 2103713
CIF file

Original IUCr paper

Formula: - C3.2 B1.1 Sc2 -
Comments: Onoda, Mitsuko; Shi, Ying; Leithe-Jasper, A.; Tanaka, Takaho Structure refinement of the layered composite crystal Sc~2~B~1.1~C~3.2~ in a five-dimensional formalism Acta Crystallographica Section B 57(4) (2001) 449-457
Space group:
Cell volume: 66.59
Cell parameters: 3.387; 3.387; 6.703; 90; 90; 120;  

COD ID: 2103714
CIF file

HKL data

Original IUCr paper

Formula: - C6 H10 Cu O10 -
Comments: Lenstra, A. T. H.; Kataeva, O. N. Structures of copper(II) and manganese(II) di(hydrogen malonate) dihydrate; effects of intensity profile truncation and background modelling on structure models Acta Crystallographica Section B 57(4) (2001) 497-506
Space group: P 1 21/n 1
Cell volume: 490.7
Cell parameters: 7.019; 7.472; 9.498; 90; 99.94; 90;  

COD ID: 2103715
CIF file

HKL data

Original IUCr paper

Formula: - C6 H10 Cu O10 -
Comments: Lenstra, A. T. H.; Kataeva, O. N. Structures of copper(II) and manganese(II) di(hydrogen malonate) dihydrate; effects of intensity profile truncation and background modelling on structure models Acta Crystallographica Section B 57(4) (2001) 497-506
Space group: P 1 21/n 1
Cell volume: 503.64
Cell parameters: 7.0655; 7.5017; 9.676; 90; 100.88; 90;  

COD ID: 2103716
CIF file

HKL data

Original IUCr paper

Formula: - C6 H10 Mn O10 -
Comments: Lenstra, A. T. H.; Kataeva, O. N. Structures of copper(II) and manganese(II) di(hydrogen malonate) dihydrate; effects of intensity profile truncation and background modelling on structure models Acta Crystallographica Section B 57(4) (2001) 497-506
Space group: P 1 21/n 1
Cell volume: 492.08
Cell parameters: 7.0909; 7.3518; 9.577; 90; 99.73; 90;  

COD ID: 2103717
CIF file

Original IUCr paper

Formula: - C18 H30 B2 Cl6 F8 Fe N24 -
Comments: Dova, Eva; Stassen, Arno F.; Driessen, René A. J.; Sonneveld, Ed; Goubitz, Kees; Peschar, René; Haasnoot, Jaap G.; Reedijk, Jan; Schenk, Henk Structure determination of the [Fe(teec)~6~](BF~4~)~2~ metal complex from laboratory and synchrotron X-ray powder diffraction data with grid-search techniques Acta Crystallographica Section B 57(4) (2001) 531-538
Space group: P 1 21/c 1
Cell volume: 2315.5
Cell parameters: 12.1966; 17.9677; 10.5667; 90; 90.555; 90;  

COD ID: 2103718
CIF file

HKL data

Original IUCr paper

Formula: - C8 H7 N3 O4 -
Comments: Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone General rules for the packing of hydrogen-bonded crystals as derived from the analysis of squaric acid anions: aminoaromatic nitrogen base co-crystals Acta Crystallographica Section B 57(4) (2001) 591-598
Space group: P -1
Cell volume: 431.54
Cell parameters: 8.279; 10.184; 5.353; 99.72; 104.05; 87.73;  

COD ID: 2103719
CIF file

HKL data

Original IUCr paper

Formula: - C9 H8 N2 O4 -
Comments: Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone General rules for the packing of hydrogen-bonded crystals as derived from the analysis of squaric acid anions: aminoaromatic nitrogen base co-crystals Acta Crystallographica Section B 57(4) (2001) 591-598
Space group: P -1
Cell volume: 904.1
Cell parameters: 3.812; 11.012; 21.942; 100.78; 91.66; 88.26;  

COD ID: 2103720
CIF file

HKL data

Original IUCr paper

Formula: - C9 H8 N2 O4 -
Comments: Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone General rules for the packing of hydrogen-bonded crystals as derived from the analysis of squaric acid anions: aminoaromatic nitrogen base co-crystals Acta Crystallographica Section B 57(4) (2001) 591-598
Space group: P 1 21/c 1
Cell volume: 910
Cell parameters: 10.283; 7.068; 12.642; 90; 97.95; 90;  

COD ID: 2103721
CIF file

HKL data

Original IUCr paper

Formula: - C22 H18 N4 O4 -
Comments: Bertolasi, Valerio; Gilli, Paola; Ferretti, Valeria; Gilli, Gastone General rules for the packing of hydrogen-bonded crystals as derived from the analysis of squaric acid anions: aminoaromatic nitrogen base co-crystals Acta Crystallographica Section B 57(4) (2001) 591-598
Space group: P -1
Cell volume: 454.68
Cell parameters: 7.209; 7.861; 8.443; 108.07; 91.62; 89.83;  

COD ID: 2103722
CIF file

Original IUCr paper

Formula: - C28 H48 N2 O2 -
Comments: Atencio, Reinaldo; Visbal, Gonzalo; Pekerar, Sara; Papale, Jham; Urbina, Julio A. Studies of molecular structure parameters of 20-piperidin-2-yl-5α-pregnan-3β,20-diol and its <i>N</i>-methyl derivative: two inhibitors of Δ^24(25)^ sterol methyl transferase and Δ^24(24')^ sterol methyl reductase of <i>Trypanosoma cruzi</i> Acta Crystallographica Section B 57(5) (2001) 714-721
Space group: P 21 21 21
Cell volume: 2708.6
Cell parameters: 13.384; 17.452; 11.596; 90; 90; 90;  

COD ID: 2103723
CIF file

Original IUCr paper

Formula: - C27 H47 N O2 -
Comments: Atencio, Reinaldo; Visbal, Gonzalo; Pekerar, Sara; Papale, Jham; Urbina, Julio A. Studies of molecular structure parameters of 20-piperidin-2-yl-5α-pregnan-3β,20-diol and its <i>N</i>-methyl derivative: two inhibitors of Δ^24(25)^ sterol methyl transferase and Δ^24(24')^ sterol methyl reductase of <i>Trypanosoma cruzi</i> Acta Crystallographica Section B 57(5) (2001) 714-721
Space group: P 1 21 1
Cell volume: 1221
Cell parameters: 10.478; 7.213; 16.384; 90; 99.58; 90;  

COD ID: 2103724
CIF file

HKL data

Original IUCr paper

Formula: - C88 H70 O28 -
Comments: Herbstein, Frank H.; Kapon, Moshe; Shteiman, Vitaly Determination of the structure of 2(benzene-1,3,5-tricarboxylic acid)·1.5(pyrene)·2(methanol) and comparison with that of 2(benzene-1,3,5-tricarboxylic acid)·pyrene·2(ethanol) Acta Crystallographica Section B 57(5) (2001) 692-696
Space group: P -1
Cell volume: 1878.57
Cell parameters: 9.533; 13.54; 14.644; 93.88; 95.02; 90.14;  

COD ID: 2103725
CIF file

HKL data

Original IUCr paper

Formula: - C4 H4 N2 O2 -
Comments: Katrusiak, Andrzej Polymorphism of maleic hydrazide. I Acta Crystallographica Section B 57(5) (2001) 697-704
Space group: P 1 21/n 1
Cell volume: 466.66
Cell parameters: 6.607; 6.907; 10.539; 90; 104; 90;  

COD ID: 2103726
CIF file

HKL data

Original IUCr paper

Formula: - C4 H4 N2 O2 -
Comments: Katrusiak, Andrzej Polymorphism of maleic hydrazide. I Acta Crystallographica Section B 57(5) (2001) 697-704
Space group: P -1
Cell volume: 229.75
Cell parameters: 5.8181; 5.8; 7.309; 78.8; 99.36; 107.13;  

COD ID: 2103727
CIF file

HKL data

Original IUCr paper

Formula: - C13 Cl9 -
Comments: Koutentis, P. A.; Haddon, R. C.; Oakley, R. T.; Cordes, A. W.; Brock, C. P. Perchlorophenalenyl radical, C~13~Cl~9~: a modulated structure with nine threefold-symmetric molecules in the asymmetric unit Acta Crystallographica Section B 57(5) (2001) 680-691
Space group: P 3 c 1
Cell volume: 6870
Cell parameters: 18.704; 18.704; 22.675; 90; 90; 120;  

COD ID: 2103728
CIF file

Original IUCr paper

Formula: - C13 Cl9 -
Comments: Koutentis, P. A.; Haddon, R. C.; Oakley, R. T.; Cordes, A. W.; Brock, C. P. Perchlorophenalenyl radical, C~13~Cl~9~: a modulated structure with nine threefold-symmetric molecules in the asymmetric unit Acta Crystallographica Section B 57(5) (2001) 680-691
Space group: R 3 m :H
Cell volume: 1145
Cell parameters: 18.704; 18.704; 3.7792; 90; 90; 120;  

COD ID: 2103729
CIF file

Original IUCr paper

Formula: - In0.54 Nb3 Te4 -
Comments: Wunschel, Markus; Dinnebier, Robert E.; Carlson, Stefan; van Smaalen, Sander Bulk modulus and non-uniform compression of Nb~3~Te~4~ and In~<i>x~</i>Nb~3~Te~4~ (<i>x</i> < 1) channel compounds Acta Crystallographica Section B 57(5) (2001) 665-672
Space group: P 63/m
Cell volume: 360.986
Cell parameters: 10.6768; 10.6768; 3.6566; 90; 90; 120;  

COD ID: 2103730
CIF file

Original IUCr paper

Formula: - C11 H2 Co2 O9 -
Comments: Bianchi, Riccardo; Gervasio, Giuliana; Marabello, Domenica Experimental electron density in the triclinic phase of Co~2~(CO)~6~(μ-CO)(μ-C~4~O~2~H~2~) at 120K Acta Crystallographica Section B 57(5) (2001) 638-645
Space group: P -1
Cell volume: 674.2
Cell parameters: 7.169; 8.452; 11.364; 82.77; 80.84; 87.72;  

COD ID: 2103731
CIF file

Original IUCr paper

Formula: - C6 H11 N O -
Comments: Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime Acta Crystallographica Section B 57(5) (2001) 705-713
Space group: P 3
Cell volume: 2905.88
Cell parameters: 20.983; 20.983; 7.621; 90; 90; 120;  

COD ID: 2103732
CIF file

HKL data

Original IUCr paper

Formula: - C7 H13 N O S -
Comments: Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime Acta Crystallographica Section B 57(5) (2001) 705-713
Space group: P 1 21/c 1
Cell volume: 861.4
Cell parameters: 5.2634; 23.222; 7.3962; 90; 107.66; 90;  

COD ID: 2103733
CIF file

Original IUCr paper

Formula: - C8 H16 N2 O -
Comments: Olivato, Paulo R.; Ribeiro, Douglas S.; Zukerman-Schpector, J.; Bombieri, Gabriella Self-association and stereochemistry study of 2-methylthio-, 2-dimethylaminocyclohexanone oximes and the parent cyclohexanone oxime Acta Crystallographica Section B 57(5) (2001) 705-713
Space group: P b c a
Cell volume: 1838.8
Cell parameters: 12.5662; 10.1714; 14.3863; 90; 90; 90;  

COD ID: 2103734
CIF file

Original IUCr paper

Formula: - C10 H15 Na -
Comments: Tedesco, Consiglia; Dinnebier, Robert E.; Olbrich, Falk; van Smaalen, Sander Disordered crystal structure of pentamethylcyclopentadienylsodium as seen by high-resolution X-ray powder diffraction Acta Crystallographica Section B 57(5) (2001) 673-679
Space group: C m c m
Cell volume: 1113.77
Cell parameters: 4.6103; 16.4621; 14.6751; 90; 90; 90;  

COD ID: 2103735
CIF file

Original IUCr paper

Formula: - C16 H19 K O5 S -
Comments: De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides Acta Crystallographica Section B 57(6) (2001) 780-790
Space group: P 1 21/a 1
Cell volume: 1602.5
Cell parameters: 11.493; 7.685; 18.15; 90; 91.49; 90;  

COD ID: 2103736
CIF file

Original IUCr paper

Formula: - C16.5 H15 Cl O5 S2 -
Comments: De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides Acta Crystallographica Section B 57(6) (2001) 780-790
Space group: C 1 2/c 1
Cell volume: 3188.7
Cell parameters: 15.927; 7.7031; 26.257; 90; 98.17; 90;  

COD ID: 2103737
CIF file

Original IUCr paper

Formula: - C20 H21 N3 O4 S2 -
Comments: De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides Acta Crystallographica Section B 57(6) (2001) 780-790
Space group: P 1 21/m 1
Cell volume: 978.9
Cell parameters: 8.725; 10.259; 10.95; 90; 92.87; 90;  

COD ID: 2103738
CIF file

Original IUCr paper

Formula: - C19 H21 N O4 S2 -
Comments: De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides Acta Crystallographica Section B 57(6) (2001) 780-790
Space group: P m c n
Cell volume: 1785.3
Cell parameters: 10.587; 10.779; 15.644; 90; 90; 90;  

COD ID: 2103739
CIF file

Original IUCr paper

Formula: - C19 H21 N O4 S2 -
Comments: De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides Acta Crystallographica Section B 57(6) (2001) 780-790
Space group: P b c a
Cell volume: 3594.9
Cell parameters: 12.845; 15.0121; 18.643; 90; 90; 90;  

COD ID: 2103740
CIF file

Original IUCr paper

Formula: - C19 H19 N O4 S2 -
Comments: De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides Acta Crystallographica Section B 57(6) (2001) 780-790
Space group: P b c a
Cell volume: 3417.5
Cell parameters: 9.826; 14.632; 23.77; 90; 90; 90;  

COD ID: 2103741
CIF file

Original IUCr paper

Formula: - C22 H19 N O4 S2 -
Comments: De Ridder, Dirk J. A.; Goubitz, Kees; Fontijn, Margot; Čapková, Pavla; Dova, Eva; Schenk, Henk Influence of aromatic sulfonation on the geometry of [2.2]paracyclophane: crystal structures of one sulfonate, one disulfonic anhydride and five disulfonimides Acta Crystallographica Section B 57(6) (2001) 780-790
Space group: P m c n
Cell volume: 1899.6
Cell parameters: 9.915; 12.426; 15.418; 90; 90; 90;  

COD ID: 2103742
CIF file

Original IUCr paper

Formula: - C6 H9 N3 O3 -
Comments: Kaftory, Menahem; Botoshansky, Mark; Kapon, Moshe; Shteiman, Vitaly Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates Acta Crystallographica Section B 57(6) (2001) 791-799
Space group: P 1 21/n 1
Cell volume: 1610
Cell parameters: 13.48; 14.172; 8.433; 90; 92.07; 90;  

COD ID: 2103743
CIF file

Original IUCr paper

Formula: - C6 H9 N3 O3 -
Comments: Kaftory, Menahem; Botoshansky, Mark; Kapon, Moshe; Shteiman, Vitaly Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates Acta Crystallographica Section B 57(6) (2001) 791-799
Space group: P n m a
Cell volume: 816.05
Cell parameters: 8.465; 6.749; 14.284; 90; 90; 90;  

COD ID: 2103744
CIF file

Original IUCr paper

Formula: - C6 H9 N3 O3 -
Comments: Kaftory, Menahem; Botoshansky, Mark; Kapon, Moshe; Shteiman, Vitaly Irreversible single-crystal to polycrystal and reversible single-crystal to single-crystal phase transformations in cyanurates Acta Crystallographica Section B 57(6) (2001) 791-799
Space group: P n m a
Cell volume: 821.35
Cell parameters: 8.481; 6.78; 14.284; 90; 90; 90;  

COD ID: 2103745
CIF file

HKL data

Original IUCr paper

Formula: - C17 H40 N8 O10 -
Comments: Saraswathi, N. T.; Vijayan, M. X-ray studies on crystalline complexes involving amino acids and peptides. XXXVIII. Crystal structures of the complexes of <small>L</small>-arginine and <small>L</small>-histidine with glutaric acid and a comparative study of amino acid‒glutaric acid complexes Acta Crystallographica Section B 57(6) (2001) 842-849
Space group: C 1 2 1
Cell volume: 1293.7
Cell parameters: 19.008; 5.073; 13.6723; 90; 101.109; 90;  

COD ID: 2103746
CIF file

HKL data

Original IUCr paper

Formula: - C44 H76 N12 O28 -
Comments: Saraswathi, N. T.; Vijayan, M. X-ray studies on crystalline complexes involving amino acids and peptides. XXXVIII. Crystal structures of the complexes of <small>L</small>-arginine and <small>L</small>-histidine with glutaric acid and a comparative study of amino acid‒glutaric acid complexes Acta Crystallographica Section B 57(6) (2001) 842-849
Space group: P 21 21 21
Cell volume: 1441
Cell parameters: 8.335; 8.856; 19.522; 90; 90; 90;  

COD ID: 2103747
CIF file

HKL data

Original IUCr paper

Formula: - C34 H52 N12 O16 -
Comments: Saraswathi, N. T.; Vijayan, M. X-ray studies on crystalline complexes involving amino acids and peptides. XXXVIII. Crystal structures of the complexes of <small>L</small>-arginine and <small>L</small>-histidine with glutaric acid and a comparative study of amino acid‒glutaric acid complexes Acta Crystallographica Section B 57(6) (2001) 842-849
Space group: P 1
Cell volume: 1016
Cell parameters: 5.791; 13.11; 14.36; 110.46; 89.78; 95.62;  

COD ID: 2103748
CIF file

Original IUCr paper

Formula: - C60 H153.42 O77.18 -
Comments: Imamura, K.; Nimz, O.; Jacob, J.; Myles, D.; Mason, S. A.; Kitamura, S.; Aree, T.; Saenger, W. Hydrogen-bond network in cyclodecaamylose hydrate at 20K; neutron diffraction study of novel structural motifs band-flip and kink in α-(1→4)-<small>D</small>-glucoside oligosaccharides Acta Crystallographica Section B 57(6) (2001) 833-841
Space group: C 1 2 1
Cell volume: 4844
Cell parameters: 29.31; 9.976; 19.34; 90; 121.07; 90;  

COD ID: 2103749
CIF file

HKL data

Original IUCr paper

Formula: - C6 H16.305 N4 O5.1525 Se -
Comments: de Matos Gomes, E.; Nogueira, E.; Fernandes, I.; Belsley, M.; Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Martín-Gil, J.; Martín-Gil, F.; Mano, J. F. Synthesis, structure, thermal and non-linear optical properties of <small>L</small>-argininium hydrogen selenite Acta Crystallographica Section B 57(6) (2001) 828-832
Space group: C 1 2 1
Cell volume: 1124.3
Cell parameters: 22.493; 5.1624; 9.73; 90; 95.68; 90;  

COD ID: 2103750
CIF file

HKL data

Original IUCr paper

Formula: - C14 H6 Cu F12 N2 O4 -
Comments: Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions Acta Crystallographica Section B 57(6) (2001) 772-779
Space group: I 41 c d
Cell volume: 7718.8
Cell parameters: 18.586; 18.586; 22.345; 90; 90; 90;  

COD ID: 2103751
CIF file

HKL data

Original IUCr paper

Formula: - C14 H6 Cu F12 N2 O4 -
Comments: Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions Acta Crystallographica Section B 57(6) (2001) 772-779
Space group: I 41 c d
Cell volume: 7474.9
Cell parameters: 18.3757; 18.3757; 22.137; 90; 90; 90;  

COD ID: 2103752
CIF file

HKL data

Original IUCr paper

Formula: - C15 H8 Cu F12 N2 O4 -
Comments: Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions Acta Crystallographica Section B 57(6) (2001) 772-779
Space group: I 41/a :2
Cell volume: 8296
Cell parameters: 19.253; 19.253; 22.38; 90; 90; 90;  

COD ID: 2103753
CIF file

HKL data

Original IUCr paper

Formula: - C15 H8 Cu F12 N2 O4 -
Comments: Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions Acta Crystallographica Section B 57(6) (2001) 772-779
Space group: I 41/a :2
Cell volume: 7846.7
Cell parameters: 18.808; 18.808; 22.182; 90; 90; 90;  

COD ID: 2103754
CIF file

HKL data

Original IUCr paper

Formula: - C18 H8 Cu F12 N2 O4 -
Comments: Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions Acta Crystallographica Section B 57(6) (2001) 772-779
Space group: P 1 21/n 1
Cell volume: 2206.5
Cell parameters: 12.3; 12.1233; 15.1545; 90; 102.464; 90;  

COD ID: 2103755
CIF file

HKL data

Original IUCr paper

Formula: - C18 H8 Cu F12 N2 O4 -
Comments: Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions Acta Crystallographica Section B 57(6) (2001) 772-779
Space group: P 1 21/n 1
Cell volume: 2108.5
Cell parameters: 12.023; 11.92; 15.065; 90; 102.42; 90;  

COD ID: 2103756
CIF file

Original IUCr paper

Formula: - C40 H18 Cu3 F36 N4 O12 -
Comments: Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions Acta Crystallographica Section B 57(6) (2001) 772-779
Space group: P -1
Cell volume: 1437.8
Cell parameters: 11.728; 13.621; 10.919; 94.46; 113.78; 65.02;  

COD ID: 2103757
CIF file

Original IUCr paper

Formula: - C40 H18 Cu3 F36 N4 O12 -
Comments: Yasui, Masanori; Ishikawa, Yoshimitsu; Ishida, Takayuki; Nogami, Takashi; Iwasaki, Fujiko Bis(hfac)-copper(II) complexes bridged by pyrimidines showing magnetic interactions Acta Crystallographica Section B 57(6) (2001) 772-779
Space group: P -1
Cell volume: 1345.8
Cell parameters: 11.552; 13.397; 10.505; 95.48; 112.982; 64.503;  

COD ID: 2103758
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P n m a
Cell volume: 1310.99
Cell parameters: 11.0818; 16.6025; 7.1255; 90; 90; 90;  

COD ID: 2103759
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 1264.94
Cell parameters: 7.08251; 10.8701; 16.4349; 90; 91.3334; 90;  

COD ID: 2103760
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 1265.22
Cell parameters: 7.0826; 10.873; 16.4338; 90; 91.3091; 90;  

COD ID: 2103761
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 1267.95
Cell parameters: 7.0832; 10.8967; 16.4306; 90; 91.0598; 90;  

COD ID: 2103762
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P n m a
Cell volume: 1272.27
Cell parameters: 10.9577; 16.4138; 7.07374; 90; 90; 90;  

COD ID: 2103763
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P n m a
Cell volume: 1276.96
Cell parameters: 10.9789; 16.4317; 7.0784; 90; 90; 90;  

COD ID: 2103764
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P n m a
Cell volume: 1323.76
Cell parameters: 11.1191; 16.6694; 7.142; 90; 90; 90;  

COD ID: 2103765
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 494.083
Cell parameters: 9.34892; 7.86485; 6.75254; 90; 95.6551; 90;  

COD ID: 2103766
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 501.8
Cell parameters: 9.4098; 7.9101; 6.7759; 90; 95.7651; 90;  

COD ID: 2103767
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 494.254
Cell parameters: 9.35056; 7.86586; 6.75282; 90; 95.6551; 90;  

COD ID: 2103768
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 494.92
Cell parameters: 9.35611; 7.86963; 6.75469; 90; 95.6564; 90;  

COD ID: 2103769
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 496.064
Cell parameters: 9.36521; 7.87628; 6.75813; 90; 95.667; 90;  

COD ID: 2103770
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 497.581
Cell parameters: 9.37718; 7.88503; 6.76289; 90; 95.6888; 90;  

COD ID: 2103771
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 499.372
Cell parameters: 9.39124; 7.89581; 6.76818; 90; 95.7195; 90;  

COD ID: 2103772
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 501.546
Cell parameters: 9.40841; 7.90854; 6.77476; 90; 95.757; 90;  

COD ID: 2103773
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 507.09
Cell parameters: 9.4576; 7.939; 6.7893; 90; 95.869; 90;  

COD ID: 2103774
CIF file

Original IUCr paper

Formula: - Ba D2 O2 -
Comments: Friedrich, Alexandra; Kunz, Martin; Suard, Emmanuelle Temperature-dependent neutron powder diffraction study of the Ba(OD)~2~ polymorphs: a new low-temperature phase Acta Crystallographica Section B 57(6) (2001) 747-758
Space group: P 1 21/n 1
Cell volume: 510.26
Cell parameters: 9.4881; 7.95273; 6.79846; 90; 95.9117; 90;  

COD ID: 2103775
CIF file

HKL data

Original IUCr paper

Formula: - Li O13 V6 -
Comments: Björk, Helen; Lidin, Sven; Gustafsson, Torbjörn; Thomas, John O. Superlattice formation in the lithiated vanadium oxide phases Li~0.67~V~6~O~13~ and LiV~6~O~13~ Acta Crystallographica Section B 57(6) (2001) 759-765
Space group: C 1 2/m 1
Cell volume: 897.3
Cell parameters: 21.955; 3.686; 11.85; 90; 110.656; 90;  

COD ID: 2103776
CIF file

Original IUCr paper

Formula: - Li0.67 O13 V6 -
Comments: Björk, Helen; Lidin, Sven; Gustafsson, Torbjörn; Thomas, John O. Superlattice formation in the lithiated vanadium oxide phases Li~0.67~V~6~O~13~ and LiV~6~O~13~ Acta Crystallographica Section B 57(6) (2001) 759-765
Space group: C 1 2/m 1
Cell volume: 1343
Cell parameters: 21.848; 3.6904; 17.245; 90; 105.01; 90;  

COD ID: 2103777
CIF file

Original IUCr paper

Formula: - C14 H12 O3 S -
Comments: Wolf, W. M. X-ray investigations of sulfur-containing fungicides. III. Intramolecular forces governing the conformation of a novel orthorhombic polymorph of benzoylmethyl phenyl sulfone, benzoylmethyl 4-chlorophenyl sulfone and benzoylphenylmethyl phenyl sulfone Acta Crystallographica Section B 57(6) (2001) 806-814
Space group: P 21 21 21
Cell volume: 1211.3
Cell parameters: 4.8177; 9.41; 26.719; 90; 90; 90;  

COD ID: 2103778
CIF file

Original IUCr paper

Formula: - C14 H12 O3 S -
Comments: Wolf, W. M. X-ray investigations of sulfur-containing fungicides. III. Intramolecular forces governing the conformation of a novel orthorhombic polymorph of benzoylmethyl phenyl sulfone, benzoylmethyl 4-chlorophenyl sulfone and benzoylphenylmethyl phenyl sulfone Acta Crystallographica Section B 57(6) (2001) 806-814
Space group: P 1 21/c 1
Cell volume: 1253.7
Cell parameters: 9.2145; 5.3594; 25.665; 90; 98.448; 90;  

COD ID: 2103779
CIF file

Original IUCr paper

Formula: - C14 H11 Cl O3 S -
Comments: Wolf, W. M. X-ray investigations of sulfur-containing fungicides. III. Intramolecular forces governing the conformation of a novel orthorhombic polymorph of benzoylmethyl phenyl sulfone, benzoylmethyl 4-chlorophenyl sulfone and benzoylphenylmethyl phenyl sulfone Acta Crystallographica Section B 57(6) (2001) 806-814
Space group: P b c a
Cell volume: 2677.6
Cell parameters: 13.469; 7.458; 26.656; 90; 90; 90;  

COD ID: 2103780
CIF file

Original IUCr paper

Formula: - C20 H16 O3 S -
Comments: Wolf, W. M. X-ray investigations of sulfur-containing fungicides. III. Intramolecular forces governing the conformation of a novel orthorhombic polymorph of benzoylmethyl phenyl sulfone, benzoylmethyl 4-chlorophenyl sulfone and benzoylphenylmethyl phenyl sulfone Acta Crystallographica Section B 57(6) (2001) 806-814
Space group: P 1 21/c 1
Cell volume: 1646.8
Cell parameters: 9.1282; 17.2532; 10.867; 90; 105.794; 90;  

COD ID: 2106179
CIF file Formula: - Ca2 Mg O7 Si2 -
Comments: Bindi, L.; Chapuis, G.; Bonazzi, P.; Petricek, V.; Dusek, M. Five-dimensional structure refinement of natural melilite, (Ca1.89 Sr0.01 Na0.08 K0.02) (Mg0.92 Al0.08) (Si1.98 Al0.02) O7 Acta Crystallographica B (39,1983-) 57 (2001) 739-746
Space group: P -4 21 m
Cell volume: 310.381
Cell parameters: 7.86; 7.86; 5.024; 90; 90; 90;  

COD ID: 2106195
CIF file Formula: - Fe0.23 In O2 Ti0.73 -
Comments: Michiue, Y.; Onoda, M.; Watanabe, M.; Brown, F.; Kimizuka, N. Modulated structure of the pseudohexagonal In Fe1-x-4d Tix+3d O3+x/2 (x=0.61) composite crystal Acta Crystallographica B (39,1983-) 57 (2001) 458-465
Space group: C c m m
Cell volume: 236.099
Cell parameters: 5.835; 3.349; 12.082; 90; 90; 90;  

COD ID: 2106196
CIF file Formula: - O -
Comments: Michiue, Y.; Onoda, M.; Kimizuka, N.; Watanabe, M.; Brown, F. Modulated structure of the pseudohexagonal In Fe1-x-4d Tix+3d O3+x/2 (x=0.61) composite crystal Acta Crystallographica B (39,1983-) 57 (2001) 458-465
Space group: C c m m
Cell volume: 181.04
Cell parameters: 5.835; 2.568; 12.082; 90; 90; 90;  

COD ID: 2106220
CIF file Formula: - Na2 S -
Comments: Vegas, A.; Grzechnik, A.; Syassen, K.; Hanfland, M.; Loa, I.; Jansen, M. Reversible phase transitions in Na2 S under pressure: a comparison with the cation array in Na2 S O4 Acta Crystallographica B (39,1983-) 57 (2001) 151-156
Space group: P n m a
Cell volume: 221.754
Cell parameters: 6.707; 4.12; 8.025; 90; 90; 90;  

COD ID: 2106221
CIF file Formula: - Na2 S -
Comments: Vegas, A.; Grzechnik, A.; Jansen, M.; Hanfland, M.; Loa, I.; Syassen, K. Reversible phase transitions in Na2 S under pressure: a comparison with the cation array in Na2 S O4 Acta Crystallographica B (39,1983-) 57 (2001) 151-156
Space group: P 63/m m c
Cell volume: 98.692
Cell parameters: 4.4269; 4.4269; 5.815; 90; 90; 120;  


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