Search results

Formula: - H4 O9 P2 Ti -
Comments: Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T. Neutron powder diffraction study of α-Ti(HPO~4~)~2~.(H~2~O) and α-Hf(HPO~4~)~2~.(H~2~O); H-atom positions Acta Crystallographica, Section B: Structural Science 52(5) (1996) 896-898
Space group: P 1 21/c 1
Cell volume: 651.7
Cell parameters: 8.611; 4.9933; 16.1507; 90; 110.206; 90;

COD ID: 1006112

Formula: - H4 Hf O9 P2 -
Comments: Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T. Neutron powder diffraction study of α-Ti(HPO~4~)~2~.(H~2~O) and α-Hf(HPO~4~)~2~.(H~2~O); H-atom positions Acta Crystallographica, Section B: Structural Science 52(5) (1996) 896-898
Space group: P 1 21/c 1
Cell volume: 713.4
Cell parameters: 8.9955; 5.2439; 16.224; 90; 111.234; 90;

COD ID: 1008736
CIF file	Formula: - Fe2 O5 P - Comments: Elkaïm, E.; Berar, J. F.; Gleitzer, C.; Malaman, B.; Ijjaali, M.; Lecomte, C. Occurrence of a monoclinic distortion in β-Fe~2~PO~5~ Acta Crystallographica, Section B: Structural Science 52(3) (1996) 428-431 Space group: I 1 2/a 1 Cell volume: 355.2 Cell parameters: 7.2956; 7.5605; 7.2512; 90; 117.368; 90;

COD ID: 1100095
CIF file	Formula: - H14 Mg6 O16 S - Comments: Hamada, E.; Ishizawa, N.; Marumo, F.; Ohsumi, K.; Shimizugawa, Y.; Reizen, K.; Matsunami, T. Structure of Mg~6~SO~2~(OH)~14~ determined by micro single-crystal X-ray diffraction Acta Crystallographica B (39,1983-) 52(2) (1996) 266-269 Space group: C c m m Cell volume: 659.7 Cell parameters: 15.895; 3.105; 13.367; 90; 90; 90;

COD ID: 2101421

Formula: - C21 H24 Fe O -
Comments: Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B 52(1) (1996) 110-121
Space group: P 1 21/n 1
Cell volume: 6892
Cell parameters: 8.007; 13.002; 66.24; 90; 91.96; 90;

COD ID: 2101422

Formula: - C12 H14 Fe O -
Comments: Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B 52(1) (1996) 110-121
Space group: I 41 c d
Cell volume: 4202.4
Cell parameters: 23.3334; 23.3334; 7.7186; 90; 90; 90;

COD ID: 2101423

Formula: - C18 H18 Fe O -
Comments: Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B 52(1) (1996) 110-121
Space group: P n a a
Cell volume: 2883.3
Cell parameters: 9.8589; 15.28; 19.1399; 90; 90; 90;

COD ID: 2101424

Formula: - C19 H20 Fe O -
Comments: Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B 52(1) (1996) 110-121
Space group: P 1 21/c 1
Cell volume: 1520.1
Cell parameters: 10.2443; 10.5811; 14.2487; 90; 100.19; 90;

COD ID: 2101425

Formula: - C20 H22 Fe O -
Comments: Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B 52(1) (1996) 110-121
Space group: C 1 c 1
Cell volume: 3298.2
Cell parameters: 25.387; 7.6825; 17.803; 90; 108.217; 90;

COD ID: 2101426

Formula: - C24 H22 Fe O -
Comments: Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B 52(1) (1996) 110-121
Space group: C 1 2/c 1
Cell volume: 3678
Cell parameters: 26.229; 5.889; 24.553; 90; 104.114; 90;

COD ID: 2101427

Formula: - C27 H24 Fe2 O -
Comments: Glidewell, C.; Klar, R. B.; Lightfoot, P.; Zakaria, C. M.; Ferguson, G. Hydrogen bonding in α-ferrocenyl alcohols: structures of 1-ferrocenylethanol, 1-ferrocenyl-2-phenylethanol, 1-ferrocenyl-1-phenylpropan-1-ol, 1-ferrocenyl-1-phenyl-2-methylpropan-1-ol, 1-ferrocenyl-1-phenyl-2,2-dimethylpropan-1-ol, 1-ferrocenyl-1,2-diphenylethanol and diferrocenyl(phenyl)methanol Acta Crystallographica Section B 52(1) (1996) 110-121
Space group: P -1
Cell volume: 1040.2
Cell parameters: 9.3999; 11.1988; 11.972; 117.844; 98.89; 102.362;

COD ID: 2101428
CIF file Original IUCr paper	Formula: - C7 H16 Cl N O2 - Comments: Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B 52(1) (1996) 184-193 Space group: P 21 21 21 Cell volume: 955.1 Cell parameters: 9.89; 15.324; 6.302; 90; 90; 90;

COD ID: 2101429
CIF file Original IUCr paper	Formula: - C6 H15 Br N2 O2 - Comments: Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B 52(1) (1996) 184-193 Space group: P n a m Cell volume: 919.1 Cell parameters: 10.35; 13.028; 6.816; 90; 90; 90;

COD ID: 2101430
CIF file Original IUCr paper	Formula: - C6 H15 Cl N2 O2 - Comments: Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B 52(1) (1996) 184-193 Space group: P n a m Cell volume: 873.3 Cell parameters: 10.179; 12.781; 6.713; 90; 90; 90;

COD ID: 2101431
CIF file Original IUCr paper	Formula: - C6 H15 I N2 O2 - Comments: Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B 52(1) (1996) 184-193 Space group: P 1 21/c 1 Cell volume: 1008.9 Cell parameters: 5.919; 12.573; 13.643; 90; 96.46; 90;

COD ID: 2101432
CIF file Original IUCr paper	Formula: - C7 H16 I N O3 - Comments: Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B 52(1) (1996) 184-193 Space group: P n a m Cell volume: 1080 Cell parameters: 10.267; 15.305; 6.873; 90; 90; 90;

COD ID: 2101433
CIF file Original IUCr paper	Formula: - C14 H30 I2 N2 O4 - Comments: Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B 52(1) (1996) 184-193 Space group: P 1 21 1 Cell volume: 994.8 Cell parameters: 12.803; 8.165; 9.612; 90; 98.09; 90;

COD ID: 2101434
CIF file Original IUCr paper	Formula: - C16 H21 N3 O7 S - Comments: Russell, V. A.; Ward, M. D. Solid-state structure of a layered hydrogen-bonded salt: guanidinium 5-benzoyl-4-hydroxy-2-methoxybenzenesulfonate methanol solvate Acta Crystallographica Section B 52(1) (1996) 209-214 Space group: P n a 21 Cell volume: 1830.2 Cell parameters: 18.64; 13.088; 7.502; 90; 90; 90;

COD ID: 2101435
CIF file Original IUCr paper	Formula: - C34 H44 O14.5 - Comments: Govindachari, T. R.; Geetha Gopalakrishnan,; Rajan, S. S.; Kabaleeswaran, V.; Lessinger, L. Molecular and crystal structure of azadirachtin-H Acta Crystallographica Section B 52(1) (1996) 145-150 Space group: I 4 Cell volume: 6536.4 Cell parameters: 29.145; 29.145; 7.695; 90; 90; 90;

COD ID: 2101436
CIF file Original IUCr paper	Formula: - Bi2 Ca Cu2 O8 Sr2 - Comments: Gladyshevskii, R. E.; Flükiger, R. Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry Acta Crystallographica Section B 52(1) (1996) 38-53 Space group: C 1 c 1 Cell volume: 8155 Cell parameters: 37.754; 5.4109; 41.07; 90; 103.58; 90;

COD ID: 2101437
CIF file Original IUCr paper	Formula: - Bi2 Ca Cu2 O8 Sr2 - Comments: Gladyshevskii, R. E.; Flükiger, R. Modulated structure of Bi~2~Sr~2~CaCu~2~O~8+{δ~}, a high-<i>T</i>~c~ superconductor with monoclinic symmetry Acta Crystallographica Section B 52(1) (1996) 38-53 Space group: C c c 2 Cell volume: 904.8 Cell parameters: 5.4112; 30.873; 5.416; 90; 90; 90;

COD ID: 2101438
CIF file Original IUCr paper	Formula: - H2 Mg O2 - Comments: Desgranges, L.; Calvarin, G.; Chevrier, G. Interlayer interactions in <i>M</i>(OH)~2~: a neutron diffraction study of Mg(OH)~2~ Acta Crystallographica Section B 52(1) (1996) 82-86 Space group: P -3 m 1 Cell volume: 41.01 Cell parameters: 3.148; 3.148; 4.779; 90; 90; 120;

COD ID: 2101439
CIF file Original IUCr paper	Formula: - H2 Mg O2 - Comments: Desgranges, L.; Calvarin, G.; Chevrier, G. Interlayer interactions in <i>M</i>(OH)~2~: a neutron diffraction study of Mg(OH)~2~ Acta Crystallographica Section B 52(1) (1996) 82-86 Space group: P -3 m 1 Cell volume: 40.6 Cell parameters: 3.145; 3.145; 4.74; 90; 90; 120;

COD ID: 2101440
CIF file Original IUCr paper	Formula: - C20 H14 Cl2 O4 - Comments: Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B 52(1) (1996) 151-158 Space group: P 1 21/n 1 Cell volume: 1829.2 Cell parameters: 7.672; 8.217; 29.042; 90; 92.41; 90;

COD ID: 2101441
CIF file Original IUCr paper	Formula: - C22 H14 N2 O4 - Comments: Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B 52(1) (1996) 151-158 Space group: P 1 21/n 1 Cell volume: 1859.8 Cell parameters: 7.864; 27.588; 8.76; 90; 101.88; 90;

COD ID: 2101442
CIF file Original IUCr paper	Formula: - C26 H19 N2 O4 - Comments: Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B 52(1) (1996) 151-158 Space group: P 1 21/c 1 Cell volume: 4365.3 Cell parameters: 15.328; 14.483; 20.421; 90; 105.65; 90;

COD ID: 2101443
CIF file Original IUCr paper	Formula: - C24.8 H17.5 N2 O4 - Comments: Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B 52(1) (1996) 151-158 Space group: P 1 21/n 1 Cell volume: 4238.7 Cell parameters: 15.174; 14.408; 20.531; 90; 109.21; 90;

COD ID: 2101444
CIF file Original IUCr paper	Formula: - C22 H20 O6 - Comments: Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B 52(1) (1996) 151-158 Space group: P -1 Cell volume: 1901.7 Cell parameters: 14.9; 15.128; 8.809; 105.03; 90.22; 82.79;

COD ID: 2101445
CIF file Original IUCr paper	Formula: - C20 H14 Cl2 O4 - Comments: Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B 52(1) (1996) 151-158 Space group: P n a 21 Cell volume: 1801.6 Cell parameters: 14.867; 8.109; 14.944; 90; 90; 90;

COD ID: 2101446

Formula: - C1.92 H1.32 Al0.04 Cl0.64 O24 Si11.96 -
Comments: van Koningsveld, H.; Jansen, J. C.; Man, A. J. M. de Single-crystal structure analysis and energy minimizations of a MFI-type zeolite at low p-dichlorobenzene sorbate loading Acta Crystallographica Section B 52(1) (1996) 131-139
Space group: P n m a
Cell volume: 5324.5
Cell parameters: 20.009; 19.909; 13.366; 90; 90; 90;

COD ID: 2101447
CIF file Original IUCr paper	Formula: - C12 H8 Al0.08 Cl4 O48 Si23.92 - Comments: van Koningsveld, H.; Jansen, J. C.; van Bekkum, H. The location of <i>p</i>-dichlorobenzene in a single crystal of zeolite H-ZSM-5 at high sorbate loading Acta Crystallographica Section B 52(1) (1996) 140-144 Space group: P 21 21 21 Cell volume: 5347 Cell parameters: 20.102; 19.797; 13.436; 90; 90; 90;

COD ID: 2101448
CIF file Original IUCr paper	Formula: - C16 H16 Cl N O3 - Comments: Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L. Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns Acta Crystallographica Section B 52(1) (1996) 194-200 Space group: P 1 21/a 1 Cell volume: 2915.8 Cell parameters: 13.922; 6.951; 30.173; 90; 93.04; 90;

COD ID: 2101449
CIF file Original IUCr paper	Formula: - C18 H20 Cl N O4 - Comments: Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L. Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns Acta Crystallographica Section B 52(1) (1996) 194-200 Space group: P 1 21 1 Cell volume: 1798.2 Cell parameters: 11.146; 12.343; 13.737; 90; 107.92; 90;

COD ID: 2101450
CIF file Original IUCr paper	Formula: - C20 H26 Cl N O6 - Comments: Böcskei, Zs.; Simon, K.; Németh, V.; Ágai, B.; Toke, L. Interesting conformational and substitutional disorder in the crystal structures of three homologous crowns Acta Crystallographica Section B 52(1) (1996) 194-200 Space group: P 1 c 1 Cell volume: 2066.3 Cell parameters: 12.477; 12.646; 13.4267; 90; 102.747; 90;

COD ID: 2101451

Formula: - Al3 F19 Pb5 -
Comments: Sarraute, S.; Ravez, J.; Von der Mühll, R.; Bravic, G.; Feigelson, R. S.; Abrahams, S. C. Structure of ferroelectric Pb~5~Al~3~F~19~ at 160 K, polarization reversal and relationship to ferroelectric Pb~5~Cr~3~F~19~ at 295 K Acta Crystallographica Section B 52(1) (1996) 72-77
Space group: I 4 c m
Cell volume: 1445
Cell parameters: 14.07; 14.07; 7.3; 90; 90; 90;

COD ID: 2101452

Formula: - C42 H92.5 Ca2 Cl4 O46.25 -
Comments: Nicolis, I.; Coleman, A. W.; Charpin, P.; Rango, C. de First sphere coordination of divalent metal cations by cyclodextrin: structure of the β-cyclodextrin‒calcium chloride‒water (1/2/11.25) compound Acta Crystallographica Section B 52(1) (1996) 122-130
Space group: P 21 21 21
Cell volume: 6774.5
Cell parameters: 15.875; 17.583; 24.27; 90; 90; 90;

COD ID: 2101453
CIF file Original IUCr paper	Formula: - C6 H5 N O3 - Comments: Hamzaoui, F.; Baert, F.; Wojcik, G. Electron-density study of <i>m</i>-nitrophenol in the orthorhombic structure Acta Crystallographica Section B 52(1) (1996) 159-164 Space group: P 21 21 21 Cell volume: 599.08 Cell parameters: 11.136; 6.649; 8.091; 90; 90; 90;

COD ID: 2101454
CIF file Original IUCr paper	Formula: - Cu Nd2 O4 - Comments: Makarova, I. P.; Simonov, V. I.; Blomberg, M. K.; Merisalo, M. J. X-ray diffraction study of Nd~2~CuO~4~ single crystals at 20 K Acta Crystallographica Section B 52(1) (1996) 93-99 Space group: I 4/m m m Cell volume: 190.03 Cell parameters: 3.9488; 3.9488; 12.1869; 90; 90; 90;

COD ID: 2101455
CIF file Original IUCr paper	Formula: - Cu Nd2 O4 - Comments: Makarova, I. P.; Simonov, V. I.; Blomberg, M. K.; Merisalo, M. J. X-ray diffraction study of Nd~2~CuO~4~ single crystals at 20 K Acta Crystallographica Section B 52(1) (1996) 93-99 Space group: I 4/m m m Cell volume: 188.256 Cell parameters: 3.9379; 3.9379; 12.14; 90; 90; 90;

COD ID: 2101456
CIF file Original IUCr paper	Formula: - Pu0.6 U0.4 - Comments: Lawson, A. C.; Goldstone, J. A.; Cort, B.; Martinez, R. J.; Vigil, F. A.; Zocco, T. G.; Richardson, Jnr, J. W.; Mueller, M. H. Structure of ζ-phase plutonium‒uranium Acta Crystallographica Section B 52(1) (1996) 32-37 Space group: R -3 m Cell volume: 1219.98 Cell parameters: 10.68535; 10.68535; 10.68535; 89.7364; 89.7364; 89.7364;

COD ID: 2101457
CIF file Original IUCr paper	Formula: - Pu0.6 U0.4 - Comments: Lawson, A. C.; Goldstone, J. A.; Cort, B.; Martinez, R. J.; Vigil, F. A.; Zocco, T. G.; Richardson, Jnr, J. W.; Mueller, M. H. Structure of ζ-phase plutonium‒uranium Acta Crystallographica Section B 52(1) (1996) 32-37 Space group: R -3 m Cell volume: 3659.9 Cell parameters: 15.0765; 15.0765; 18.5925; 90; 90; 120;

COD ID: 2101458

Formula: - C18 H20 N2 O4 S4 -
Comments: Nüesch, F.; Grätzel, M.; Nesper, R.; Shklover, V. Crystal and molecular structures of 3-acetyl-5-[2-(3-ethyl-2-benzothiazolidene)]ethylidenerhodanine and its lithium and sodium salts. Layered organic–inorganic structures Acta Crystallographica Section B 52(2) (1996) 277-286
Space group: P -1
Cell volume: 1073.8
Cell parameters: 7.664; 9.874; 14.851; 101.71; 90.45; 102.27;

COD ID: 2101459

Formula: - C20.5 H27.5 Li N3.5 O6.5 S3 -
Comments: Nüesch, F.; Grätzel, M.; Nesper, R.; Shklover, V. Crystal and molecular structures of 3-acetyl-5-[2-(3-ethyl-2-benzothiazolidene)]ethylidenerhodanine and its lithium and sodium salts. Layered organic–inorganic structures Acta Crystallographica Section B 52(2) (1996) 277-286
Space group: P -1
Cell volume: 1245.9
Cell parameters: 7.249; 10.773; 16.433; 87.66; 85.22; 77.04;

COD ID: 2101460

Formula: - C16 H29 N2 Na O11 S3 -
Comments: Nüesch, F.; Grätzel, M.; Nesper, R.; Shklover, V. Crystal and molecular structures of 3-acetyl-5-[2-(3-ethyl-2-benzothiazolidene)]ethylidenerhodanine and its lithium and sodium salts. Layered organic‒inorganic structures Acta Crystallographica Section B 52(2) (1996) 277-286
Space group: C 1 2/c 1
Cell volume: 5061
Cell parameters: 46.209; 7.005; 16.583; 90; 109.45; 90;

COD ID: 2101461

Formula: - C29 H33 Co N5 O4 P -
Comments: Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y. Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates Acta Crystallographica Section B 52(2) (1996) 303-313
Space group: P 1 21/c 1
Cell volume: 2870.9
Cell parameters: 15.15; 14.846; 12.785; 90; 93.26; 90;

COD ID: 2101462
CIF file Original IUCr paper	Formula: - C29 H33 Co N5 O4 P - Comments: Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y. Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates Acta Crystallographica Section B 52(2) (1996) 303-313 Space group: P b c a Cell volume: 11529 Cell parameters: 59.684; 14.909; 12.956; 90; 90; 90;

COD ID: 2101463

Formula: - C29 H33 Co N5 O4 P -
Comments: Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y. Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates Acta Crystallographica Section B 52(2) (1996) 303-313
Space group: P 1 21/c 1
Cell volume: 2901
Cell parameters: 15.103; 13.483; 14.908; 90; 107.12; 90;

COD ID: 2101464

Formula: - C29 H33 Co N5 O4 P -
Comments: Sawada, K.; Hashizume, D.; Sekine, A.; Uekusa, H.; Kato, K.; Ohashi, Y.; Kakinuma, K.; Ohgo, Y. Four polymorphs of a cobaloxime complex with different solid-state photoisomerization rates Acta Crystallographica Section B 52(2) (1996) 303-313
Space group: P 21 21 21
Cell volume: 2927.9
Cell parameters: 14.926; 18.433; 10.642; 90; 90; 90;

COD ID: 2101465
CIF file Original IUCr paper	Formula: - C4 H9 N O4 - Comments: Hirano, A.; Kubozono, Y.; Maeda, H.; Ishida, H.; Kashino, S. Structure of ammonium hydrogen succinate above and below the phase transition around 170K Acta Crystallographica Section B 52(2) (1996) 323-327 Space group: P -1 Cell volume: 308.7 Cell parameters: 7.483; 8.881; 4.731; 91.29; 93.23; 100.24;

COD ID: 2101466
CIF file Original IUCr paper	Formula: - C4 H9 N O4 - Comments: Hirano, A.; Kubozono, Y.; Maeda, H.; Ishida, H.; Kashino, S. Structure of ammonium hydrogen succinate above and below the phase transition around 170K Acta Crystallographica Section B 52(2) (1996) 323-327 Space group: P -1 Cell volume: 302.26 Cell parameters: 7.437; 8.834; 4.6927; 91.32; 93.37; 100.68;

COD ID: 2101467
CIF file Original IUCr paper	Formula: - C4 H9 N O4 - Comments: Hirano, A.; Kubozono, Y.; Maeda, H.; Ishida, H.; Kashino, S. Structure of ammonium hydrogen succinate above and below the phase transition around 170K Acta Crystallographica Section B 52(2) (1996) 323-327 Space group: P -1 Cell volume: 301.44 Cell parameters: 7.4384; 8.8222; 4.6875; 91.48; 93.178; 100.85;

COD ID: 2101468
CIF file Original IUCr paper	Formula: - C10 H10 V - Comments: Antipin, M. Yu.; Boese, R. Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder Acta Crystallographica Section B 52(2) (1996) 314-322 Space group: P 1 21/n 1 Cell volume: 414.77 Cell parameters: 5.7208; 8.211; 8.831; 90; 90.94; 90;

COD ID: 2101469
CIF file Original IUCr paper	Formula: - C10 H10 V - Comments: Antipin, M. Yu.; Boese, R. Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder Acta Crystallographica Section B 52(2) (1996) 314-322 Space group: P 1 21/n 1 Cell volume: 420.4 Cell parameters: 5.772; 8.111; 8.981; 90; 89.95; 90;

COD ID: 2101470
CIF file Original IUCr paper	Formula: - C10 H10 V - Comments: Antipin, M. Yu.; Boese, R. Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder Acta Crystallographica Section B 52(2) (1996) 314-322 Space group: P 1 21/n 1 Cell volume: 420.4 Cell parameters: 5.772; 8.111; 8.981; 90; 89.95; 90;

COD ID: 2101471
CIF file Original IUCr paper	Formula: - C10 H10 V - Comments: Antipin, M. Yu.; Boese, R. Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder Acta Crystallographica Section B 52(2) (1996) 314-322 Space group: P 1 21/n 1 Cell volume: 436.1 Cell parameters: 5.885; 8.013; 9.251; 90; 88.8; 90;

COD ID: 2101472
CIF file Original IUCr paper	Formula: - C10 H10 V - Comments: Antipin, M. Yu.; Boese, R. Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder Acta Crystallographica Section B 52(2) (1996) 314-322 Space group: P 1 21/n 1 Cell volume: 436.1 Cell parameters: 5.885; 8.013; 9.251; 90; 88.8; 90;

COD ID: 2101473
CIF file Original IUCr paper	Formula: - C10 H10 V - Comments: Antipin, M. Yu.; Boese, R. Structure of vanadocene in the temperature interval 108–357 K and the nature of the ring disorder Acta Crystallographica Section B 52(2) (1996) 314-322 Space group: P 1 21/n 1 Cell volume: 444.1 Cell parameters: 5.934; 8.013; 9.344; 90; 91.52; 90;

COD ID: 2101474
CIF file Original IUCr paper	Formula: - C8 H17 N O2 - Comments: Luo, J.; Ruble, J. R.; Craven, B. M.; McMullan, R. K. Effects of H/D substitution on thermal vibrations in piperazinium hexanoate-h~11~,d~11~ Acta Crystallographica Section B 52(2) (1996) 357-368 Space group: P -1 Cell volume: 435.9 Cell parameters: 5.753; 7.498; 10.649; 105.71; 93.64; 97.63;

COD ID: 2101475
CIF file Original IUCr paper	Formula: - C8 H6 D11 N O2 - Comments: Luo, J.; Ruble, J. R.; Craven, B. M.; McMullan, R. K. Effects of H/D substitution on thermal vibrations in piperazinium hexanoate-h~11~,d~11~ Acta Crystallographica Section B 52(2) (1996) 357-368 Space group: P -1 Cell volume: 433.6 Cell parameters: 5.75; 7.486; 10.622; 105.81; 93.66; 97.66;

COD ID: 2101476
CIF file Original IUCr paper	Formula: - B4 O7 Pb - Comments: Corker, D. L.; Glazer, A. M. Structure and optical non-linearity of PbO.2B~2~O~3~ Acta Crystallographica Section B 52(2) (1996) 260-265 Space group: P 21 n m Cell volume: 206.04 Cell parameters: 4.251; 4.463; 10.86; 90; 90; 90;

COD ID: 2101477

Formula: - Al Fe O3 -
Comments: Bouree, F.; Baudour, J. L.; Elbadraoui, E.; Musso, J.; Laurent, C.; Rousset, A. Crystal and magnetic structure of piezoelectric, ferrimagnetic and magnetoelectric aluminium iron oxide FeAlO~3~ from neutron powder diffraction Acta Crystallographica Section B 52(2) (1996) 217-222
Space group: P n a 21
Cell volume: 393.996
Cell parameters: 4.9839; 8.5544; 9.2413; 90; 90; 90;

COD ID: 2101478

Formula: - Al Fe O3 -
Comments: Bouree, F.; Baudour, J. L.; Elbadraoui, E.; Musso, J.; Laurent, C.; Rousset, A. Crystal and magnetic structure of piezoelectric, ferrimagnetic and magnetoelectric aluminium iron oxide FeAlO~3~ from neutron powder diffraction Acta Crystallographica Section B 52(2) (1996) 217-222
Space group: P n a 21
Cell volume: 392.976
Cell parameters: 4.9792; 8.5466; 9.2345; 90; 90; 90;

COD ID: 2101479
CIF file Original IUCr paper	Formula: - C7 H3 Cl N2 O2 - Comments: Britton, D.; Cramer, C. J. Structures of four <i>o</i>-nitrobenzonitriles Acta Crystallographica Section B 52(2) (1996) 344-351 Space group: P b c a Cell volume: 1516.9 Cell parameters: 9.469; 14.752; 10.859; 90; 90; 90;

COD ID: 2101480
CIF file Original IUCr paper	Formula: - C8 H6 N2 O2 - Comments: Britton, D.; Cramer, C. J. Structures of four <i>o</i>-nitrobenzonitriles Acta Crystallographica Section B 52(2) (1996) 344-351 Space group: P b c a Cell volume: 1494.5 Cell parameters: 9.969; 14.728; 10.179; 90; 90; 90;

COD ID: 2101481
CIF file Original IUCr paper	Formula: - C7 H3 Cl N2 O2 - Comments: Britton, D.; Cramer, C. J. Structures of four <i>o</i>-nitrobenzonitriles Acta Crystallographica Section B 52(2) (1996) 344-351 Space group: P 1 21/n 1 Cell volume: 765.6 Cell parameters: 7.889; 15.064; 7.311; 90; 118.22; 90;

COD ID: 2101482
CIF file Original IUCr paper	Formula: - C7 H3 N3 O4 - Comments: Britton, D.; Cramer, C. J. Structures of four <i>o</i>-nitrobenzonitriles Acta Crystallographica Section B 52(2) (1996) 344-351 Space group: P b c n Cell volume: 772.8 Cell parameters: 13.081; 9.027; 6.545; 90; 90; 90;

COD ID: 2101483
CIF file Original IUCr paper	Formula: - C18 H8 N4 Se4 - Comments: Corfield, P. W. R.; La Placa, S. J. Structure of the charge-transfer salt 2,2',5,5'-tetraselenafulvalene‒7,7,8,8-tetracyano-<i>p</i>-quinodimethane (TSeF‒TCNQ) Acta Crystallographica Section B 52(2) (1996) 384-387 Space group: P 1 21/c 1 Cell volume: 868.92 Cell parameters: 12.5048; 3.8724; 18.5041; 90; 104.131; 90;

COD ID: 2101484
CIF file Original IUCr paper	Formula: - Ca3 Fe2 O12 Si3 - Comments: Pilati, T.; Demartin, F.; Gramaccioli, C. M. Atomic displacement parameters for garnets: a lattice-dynamical evaluation Acta Crystallographica Section B 52(2) (1996) 239-250 Space group: I a -3 d Cell volume: 1756 Cell parameters: 12.0643; 12.0643; 12.0643; 90; 90; 90;

COD ID: 2101485

Formula: - C52 H49 F6 P5 Pt2 S -
Comments: Clegg, William; Capdevila, Mercè; González-Duarte, Pilar; Sola, Joan Structural investigation of homonuclear Pt~2~ and heteronuclear PdPt complexes containing a metal‒metal bond bridged by hydrido and sulfido ligands Acta Crystallographica Section B 52(2) (1996) 270-276
Space group: P 1 2/n 1
Cell volume: 2528.3
Cell parameters: 13.742; 11.058; 16.7504; 90; 96.644; 90;

COD ID: 2101486

Formula: - C52 H49 F6 P5 Pd Pt S -
Comments: Clegg, William; Capdevila, Mercè; González-Duarte, Pilar; Sola, Joan Structural investigation of homonuclear Pt~2~ and heteronuclear PdPt complexes containing a metal‒metal bond bridged by hydrido and sulfido ligands Acta Crystallographica Section B 52(2) (1996) 270-276
Space group: P 1 2/n 1
Cell volume: 2531.6
Cell parameters: 13.724; 11.097; 16.74; 90; 96.77; 90;

COD ID: 2101487

Formula: - C52 H49 F6 P5 Pt2 S -
Comments: Clegg, William; Capdevila, Mercè; González-Duarte, Pilar; Sola, Joan Structural investigation of homonuclear Pt~2~ and heteronuclear PdPt complexes containing a metal‒metal bond bridged by hydrido and sulfido ligands Acta Crystallographica Section B 52(2) (1996) 270-276
Space group: P 1 21/n 1
Cell volume: 4959
Cell parameters: 13.689; 21.857; 16.662; 90; 95.92; 90;

COD ID: 2101488
CIF file Original IUCr paper	Formula: - C6 H8 N6 O8 - Comments: Ammon, H. L.; Du, Z.; Gilardi, R. D.; Dave, P. R.; Forohar, F.; Axenrod, T. Structure of 1,3,5,7-tetranitro-3,7-diazabicyclo-[3.3.0]octane. Structure solution from molecular packing analysis Acta Crystallographica Section B 52(2) (1996) 352-356 Space group: P 1 21/c 1 Cell volume: 1073.5 Cell parameters: 11.559; 8.018; 11.697; 90; 98.01; 90;

COD ID: 2101489
CIF file Original IUCr paper	Formula: - C6 H24 Cl9 N3 Sb2 - Comments: Zaleski, J.; Pietraszko, A. Structure at 200 and 298 K and X-ray investigations of the phase transition at 242 K of [NH~2~(CH~3~)~2~]~3~Sb~2~Cl~9~ (DMACA) Acta Crystallographica Section B 52(2) (1996) 287-295 Space group: P 1 c 1 Cell volume: 1198.4 Cell parameters: 9.47; 9.034; 14.08; 90; 95.81; 90;

COD ID: 2101490
CIF file Original IUCr paper	Formula: - C6 H24 Cl9 N3 Sb2 - Comments: Zaleski, J.; Pietraszko, A. Structure at 200 and 298 K and X-ray investigations of the phase transition at 242 K of [NH~2~(CH~3~)~2~]~3~Sb~2~Cl~9~ (DMACA) Acta Crystallographica Section B 52(2) (1996) 287-295 Space group: P 1 21/c 1 Cell volume: 1225.4 Cell parameters: 9.686; 9.037; 14.066; 90; 95.57; 90;

COD ID: 2101491

Formula: - C16 H22 N4 O6 -
Comments: Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N. The rare trans-syn thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived trans-syn thymine photodimers. Comparison of the stereochemistry before and after photodimerization Acta Crystallographica Section B 52(2) (1996) 376-383
Space group: P -1
Cell volume: 877.2
Cell parameters: 8.534; 9.352; 12.371; 92.59; 96.16; 116.05;

COD ID: 2101492

Formula: - C16 H22 N4 O6 -
Comments: Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N. The rare trans-syn thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived trans-syn thymine photodimers. Comparison of the stereochemistry before and after photodimerization Acta Crystallographica Section B 52(2) (1996) 376-383
Space group: P -1
Cell volume: 857.6
Cell parameters: 7.9; 10.061; 12.048; 71.37; 78.13; 72.17;

COD ID: 2101493

Formula: - C20 H22 N4 O6 -
Comments: Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N. The rare trans-syn thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived trans-syn thymine photodimers. Comparison of the stereochemistry before and after photodimerization Acta Crystallographica Section B 52(2) (1996) 376-383
Space group: P -1
Cell volume: 1002.9
Cell parameters: 8.558; 11.077; 11.437; 108.57; 94.37; 99.77;

COD ID: 2101494

Formula: - C20 H22 N4 O6 -
Comments: Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N. The rare trans-syn thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived trans-syn thymine photodimers. Comparison of the stereochemistry before and after photodimerization Acta Crystallographica Section B 52(2) (1996) 376-383
Space group: P 1 21/n 1
Cell volume: 1895.3
Cell parameters: 10.357; 14.578; 12.676; 90; 97.99; 90;

COD ID: 2101495
CIF file Original IUCr paper	Formula: - C21 H23 N3 O2 - Comments: André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P. The crystal packing modes of three sterically overcrowded imidazole derivatives Acta Crystallographica Section B 52(2) (1996) 369-375 Space group: P b c a Cell volume: 3809 Cell parameters: 34.845; 10.013; 10.918; 90; 90; 90;

COD ID: 2101496
CIF file Original IUCr paper	Formula: - C19 H21 N3 O2 - Comments: André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P. The crystal packing modes of three sterically overcrowded imidazole derivatives Acta Crystallographica Section B 52(2) (1996) 369-375 Space group: P 21 21 21 Cell volume: 1756.4 Cell parameters: 8.321; 12.411; 17.008; 90; 90; 90;

COD ID: 2101497
CIF file Original IUCr paper	Formula: - C19 H21 N3 - Comments: André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P. The crystal packing modes of three sterically overcrowded imidazole derivatives Acta Crystallographica Section B 52(2) (1996) 369-375 Space group: P 1 21/a 1 Cell volume: 1671.1 Cell parameters: 16.607; 11.427; 9.668; 90; 114.38; 90;

COD ID: 2101498
CIF file Original IUCr paper	Formula: - C18 H36 Cl2 N2 Pd2 S4 - Comments: Nyburg, S. C. Structure of a twin initially solved from a partial data set: di-μ-chlorobis-[di-<i>n</i>-butyldithiocarbamato]dipalladium Acta Crystallographica Section B 52(2) (1996) 328-331 Space group: P 1 21/a 1 Cell volume: 1333 Cell parameters: 16.393; 9.235; 11.176; 90; 128.01; 90;

COD ID: 2101499
CIF file Original IUCr paper	Formula: - C - Comments: Yamanaka, T.; Morimoto, S. Isotope effect on anharmonic thermal atomic vibration and κ refinement of ^12^C and ^3^C diamond Acta Crystallographica Section B 52(2) (1996) 232-238 Space group: F d -3 m Cell volume: 45.3687 Cell parameters: 3.56658; 3.56658; 3.56658; 90; 90; 90;

COD ID: 2101500
CIF file Original IUCr paper	Formula: - C4 H16 N Na O10 - Comments: Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y. Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions Acta Crystallographica Section B 52(2) (1996) 296-302 Space group: P 21 21 2 Cell volume: 1102.4 Cell parameters: 12.206; 14.451; 6.25; 90; 90; 90;

COD ID: 2101501

Formula: - C4 H15.76 K0.06 N0.94 Na O10 -
Comments: Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y. Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions Acta Crystallographica Section B 52(2) (1996) 296-302
Space group: P 21 21 2
Cell volume: 1095.2
Cell parameters: 12.172; 14.421; 6.239; 90; 90; 90;

COD ID: 2101502

Formula: - C4 H15.6 K0.1 N0.9 Na O10 -
Comments: Suzuki, E.; Muta, T.; Nozaki, R.; Shiozaki, Y. Modification of crystal structure of ammonium Rochelle salt [NaNH~4~(+)-C~4~H~4~O~6~.4H~2~O] owing to the replacement of NH~4~ ions with K ions Acta Crystallographica Section B 52(2) (1996) 296-302
Space group: P 21 21 2
Cell volume: 1094
Cell parameters: 12.165; 14.42; 6.239; 90; 90; 90;

COD ID: 2101504
CIF file Original IUCr paper	Formula: - C10 H8 Cl N O2 - Comments: Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D. Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B 52(2) (1996) 332-343 Space group: P 1 21/c 1 Cell volume: 957.5 Cell parameters: 7.313; 17.156; 7.64; 90; 92.71; 90;

COD ID: 2101505
CIF file Original IUCr paper	Formula: - C10 H8 Cl N O2 - Comments: Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D. Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B 52(2) (1996) 332-343 Space group: P 1 21/c 1 Cell volume: 913.5 Cell parameters: 19.141; 5.154; 10.323; 90; 116.23; 90;

COD ID: 2101506
CIF file Original IUCr paper	Formula: - C10 H8 Cl N O2 - Comments: Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D. Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B 52(2) (1996) 332-343 Space group: P b c a Cell volume: 5679 Cell parameters: 61.08; 12.115; 7.674; 90; 90; 90;

COD ID: 2101507
CIF file Original IUCr paper	Formula: - C10 H8 Cl N O2 - Comments: Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D. Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B 52(2) (1996) 332-343 Space group: P 1 21/c 1 Cell volume: 940.2 Cell parameters: 20.244; 4.829; 10.728; 90; 116.3; 90;

COD ID: 2101508
CIF file Original IUCr paper	Formula: - C10 H8 Br N O2 - Comments: Nigović, B.; Kojić-Prodić, B.; Antolić, S.; Tomić, S.; Puntarec, V.; Cohen, J. D. Structural studies on monohalogenated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B 52(2) (1996) 332-343 Space group: P -1 Cell volume: 481.2 Cell parameters: 5.645; 9.713; 10.019; 116.02; 92.67; 100.12;

COD ID: 2101509
CIF file Original IUCr paper	Formula: - C4 H8 N O10 Ti - Comments: Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B. Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths Acta Crystallographica Section B 52(3) (1996) 458-464 Space group: P 64 2 2 Cell volume: 753.8 Cell parameters: 8.939; 8.939; 10.893; 90; 90; 120;

COD ID: 2101510
CIF file Original IUCr paper	Formula: - C4 H8 N O10 Ti - Comments: Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B. Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths Acta Crystallographica Section B 52(3) (1996) 458-464 Space group: P 64 2 2 Cell volume: 752.5 Cell parameters: 8.931; 8.931; 10.893; 90; 90; 120;

COD ID: 2101511
CIF file Original IUCr paper	Formula: - C4 H8 N O10 Ti - Comments: Sheu, H. S.; Wu, J. C.; Wang, Y.; English, R. B. Charge density studies in NH~4~[Ti(C~2~O~4~)~2~].2H~2~O crystals at two wavelengths Acta Crystallographica Section B 52(3) (1996) 458-464 Space group: P 64 2 2 Cell volume: 755.5 Cell parameters: 8.947; 8.947; 10.898; 90; 90; 120;

COD ID: 2101512
CIF file Original IUCr paper	Formula: - Ho2 O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Ishizawa, N. A synchrotron X-ray study of the electron density in <i>C</i>-type rare earth oxides Acta Crystallographica Section B 52(3) (1996) 414-422 Space group: I a -3 Cell volume: 1192.7 Cell parameters: 10.605; 10.605; 10.605; 90; 90; 90;

COD ID: 2101513
CIF file Original IUCr paper	Formula: - C29 H29 Ta - Comments: Schaefer, W. P.; Marsh, R. E.; Rodriguez, G.; Bazan, G. C. A tribenzylidenemethane‒tantalum compound: some experiences with `inversion twinning' Acta Crystallographica Section B 52(3) (1996) 465-470 Space group: P 3 1 c Cell volume: 2245.5 Cell parameters: 12.681; 12.681; 16.124; 90; 90; 120;

COD ID: 2101514
CIF file Original IUCr paper	Formula: - Bi2 Nb2 O9 Pb - Comments: Srikanth, V.; Idink, H.; White, W. B.; Subbarao, E. C.; Rajagopal, H.; Sequeira, A. Cation disorder in ferroelectric PbBi~2~Nb~2~O~9~ Acta Crystallographica Section B 52(3) (1996) 432-439 Space group: A 21 a m Cell volume: 772 Cell parameters: 5.503; 5.495; 25.531; 90; 90; 90;

COD ID: 2101515
CIF file Original IUCr paper	Formula: - Bi2 Nb2 O9 Pb - Comments: Srikanth, V.; Idink, H.; White, W. B.; Subbarao, E. C.; Rajagopal, H.; Sequeira, A. Cation disorder in ferroelectric PbBi~2~Nb~2~O~9~ Acta Crystallographica Section B 52(3) (1996) 432-439 Space group: A 21 a m Cell volume: 770.4 Cell parameters: 5.504; 5.487; 25.511; 90; 90; 90;

COD ID: 2101516
CIF file Original IUCr paper	Formula: - Co Na O4 P - Comments: Hammond, R.; Barbier, J. Structural chemistry of NaCoPO~4~ Acta Crystallographica Section B 52(3) (1996) 440-449 Space group: P n m a Cell volume: 302.11 Cell parameters: 8.871; 6.78; 5.023; 90; 90; 90;

COD ID: 2101517
CIF file Original IUCr paper	Formula: - Co Na O4 P - Comments: Hammond, R.; Barbier, J. Structural chemistry of NaCoPO~4~ Acta Crystallographica Section B 52(3) (1996) 440-449 Space group: P 65 Cell volume: 2137.4 Cell parameters: 10.166; 10.166; 23.881; 90; 90; 120;

COD ID: 2101518
CIF file Original IUCr paper	Formula: - C8 H4 N4 O6 - Comments: Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B 52(3) (1996) 487-499 Space group: P 1 21/c 1 Cell volume: 902.74 Cell parameters: 8.4668; 8.5533; 12.4657; 90; 90.341; 90;

COD ID: 2101519
CIF file Original IUCr paper	Formula: - C8 H4 N4 O6 - Comments: Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B 52(3) (1996) 487-499 Space group: P 21 21 21 Cell volume: 1862.3 Cell parameters: 6.9774; 13.083; 20.401; 90; 90; 90;

COD ID: 2101520
CIF file Original IUCr paper	Formula: - C8 H7 N3 O5 - Comments: Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B 52(3) (1996) 487-499 Space group: P 1 21/n 1 Cell volume: 927.18 Cell parameters: 7.4744; 11.9265; 10.491; 90; 97.513; 90;

COD ID: 2101521
CIF file Original IUCr paper	Formula: - C8 H4 Cl2 N2 O2 - Comments: Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B 52(3) (1996) 487-499 Space group: P 1 21/n 1 Cell volume: 868.62 Cell parameters: 7.2066; 8.4502; 14.4709; 90; 99.707; 90;

COD ID: 2101522

Formula: - C11 H11 Cl2 N3 O3 -
Comments: Kubicki, M.; Kindopp, T. W.; Capparelli, M. V.; Codding, P. W. Hydrogen-bond patterns in 1,4-dihydro-2,3-quinoxalinediones: ligands for the glycine modulatory site on the NMDA receptor Acta Crystallographica Section B 52(3) (1996) 487-499
Space group: P -1
Cell volume: 659.5
Cell parameters: 6.1501; 8.3787; 13.7356; 107.407; 99.304; 95.032;

COD ID: 2101523
CIF file Original IUCr paper	Formula: - C8 H24 Co Li N8 O12 - Comments: Bianchi, R.; Gatti, C.; Adovasio, V.; Nardelli, M. Theoretical and experimental (113 K) electron-density study of lithium bis(tetramethylammonium) hexanitrocobaltate(III) Acta Crystallographica Section B 52(3) (1996) 471-478 Space group: P -3 m 1 Cell volume: 476.6 Cell parameters: 8.856; 8.856; 7.017; 90; 90; 120;

COD ID: 2101524
CIF file Original IUCr paper	Formula: - C8 H24 Co Li N8 O12 - Comments: Bianchi, R.; Gatti, C.; Adovasio, V.; Nardelli, M. Theoretical and experimental (113 K) electron-density study of lithium bis(tetramethylammonium) hexanitrocobaltate(III) Acta Crystallographica Section B 52(3) (1996) 471-478 Space group: P -3 m 1 Cell volume: 476.6 Cell parameters: 8.856; 8.856; 7.017; 90; 90; 120;

COD ID: 2101526

Formula: - C4 H8 O3 S -
Comments: Hellier, D.G.; Luger, P.; Buschmann, J. Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K Acta Crystallographica Section B 52(3) (1996) 505-508
Space group: P 21 21 21
Cell volume: 594.9
Cell parameters: 7.204; 13.67; 6.041; 90; 90; 90;

COD ID: 2101527

Formula: - C4 H8 O3 S -
Comments: Hellier, D.G.; Luger, P.; Buschmann, J. Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K Acta Crystallographica Section B 52(3) (1996) 505-508
Space group: P 21 21 21
Cell volume: 1238.6
Cell parameters: 18.238; 10.265; 6.616; 90; 90; 90;

COD ID: 2101528

Formula: - C4 H8 O3 S -
Comments: Hellier, D.G.; Luger, P.; Buschmann, J. Chemistry of the S=O bond. 13. Structures of isomers 1 (I) and 2 (II) of 4-methyl-1,3,2-dioxathiane 2-oxide and 1,3,2-dioxathiepane 2-oxide (III) at 256, 240 and 228 K Acta Crystallographica Section B 52(3) (1996) 505-508
Space group: P 1 21/n 1
Cell volume: 610.5
Cell parameters: 6.06; 11.185; 9.186; 90; 101.32; 90;

COD ID: 2101529

Formula: - C21 H25 Cl N2 O4 -
Comments: Declercq, J.-P.; Dubourg, A.; Payrastre, C.; Mazières, M.-R.; Madaule, Y.; Wolf, J.-G. Structure of 1,5-bis(dimethylamino)-1,5-diphenylpentadienylium perchlorate and modelling of pentadienylium salts (cyanine dyes) Acta Crystallographica Section B 52(3) (1996) 500-504
Space group: P 21 21 21
Cell volume: 2147.9
Cell parameters: 7.81; 15.007; 18.326; 90; 90; 90;

COD ID: 2101530
CIF file Original IUCr paper	Formula: - C27 H50 O6 - Comments: Suwińska, K.; Kutner, A. Crystal and molecular structure of 1,25-dihydroxycholecalciferol Acta Crystallographica Section B 52(3) (1996) 550-554 Space group: P 21 21 21 Cell volume: 2995.7 Cell parameters: 6.234; 15.628; 30.749; 90; 90; 90;

COD ID: 2101531

Formula: - C23 H29 Br N3 O3.5 -
Comments: Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes Acta Crystallographica Section B 52(3) (1996) 509-518
Space group: C 1 2/c 1
Cell volume: 4588.2
Cell parameters: 21.916; 15.207; 14.052; 90; 101.56; 90;

COD ID: 2101532

Formula: - C8 H11 N5 -
Comments: Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes Acta Crystallographica Section B 52(3) (1996) 509-518
Space group: P 1 21/c 1
Cell volume: 3735.8
Cell parameters: 9.781; 35.04; 11; 90; 97.72; 90;

COD ID: 2101533

Formula: - C15 H17 Cl2 N O2 -
Comments: Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes Acta Crystallographica Section B 52(3) (1996) 509-518
Space group: P -1
Cell volume: 755.6
Cell parameters: 8.48; 9.84; 10.158; 90.04; 111.77; 105.07;

COD ID: 2101534

Formula: - C18 H21 Cl N2 -
Comments: Dalpiaz, A.; Ferretti, V.; Gilli, P.; Bertolasi, V. Stereochemistry of serotonin receptor ligands from crystallographic data. Crystal structures of NAN-190.HBr, 1-phenylbiguanide, MDL 72222 and mianserin.HCl and selectivity criteria towards 5-HT~1~, 5-HT~2~ and 5-HT~3~ receptor subtypes Acta Crystallographica Section B 52(3) (1996) 509-518
Space group: P 1 21/a 1
Cell volume: 1579.5
Cell parameters: 9.014; 14.917; 12.412; 90; 108.84; 90;

COD ID: 2101535
CIF file Original IUCr paper	Formula: - Fe3 O4 - Comments: Okudera, H.; Kihara, K.; Matsumoto, T. Temperature dependence of structure parameters in natural magnetite: single crystal X-ray studies from 126 to 773 K Acta Crystallographica Section B 52(3) (1996) 450-457 Space group: F d -3 m {origin @ centre (-3m)} Cell volume: 591.05 Cell parameters: 8.3922; 8.3922; 8.3922; 90; 90; 90;

COD ID: 2101536

Formula: - C6 H19 N4 O7 P -
Comments: Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W. Electron density study of a new non-linear optical material: L-arginine phosphate monohydrate (LAP). Comparison between X‒X and X‒(X + N) refinements Acta Crystallographica Section B 52(3) (1996) 519-534
Space group: P 1 21 1
Cell volume: 622.5
Cell parameters: 7.333; 7.93; 10.81; 90; 98; 90;

COD ID: 2101537

Formula: - C6 H19 N4 O7 P -
Comments: Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W. Electron density study of a new non-linear optical material: L-arginine phosphate monohydrate (LAP). Comparison between X‒X and X‒(X + N) refinements Acta Crystallographica Section B 52(3) (1996) 519-534
Space group: P 1 21 1
Cell volume: 618
Cell parameters: 7.319; 7.912; 10.779; 90; 98.05; 90;

COD ID: 2101538

Formula: - C6 H19 N4 O7 P -
Comments: Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W. Electron density study of a new non-linear optical material: L-arginine phosphate monohydrate (LAP). Comparison between X‒X and X‒(X + N) refinements Acta Crystallographica Section B 52(3) (1996) 519-534
Space group: P 1 21 1
Cell volume: 618
Cell parameters: 7.319; 7.912; 10.779; 90; 98.05; 90;

COD ID: 2101539

Formula: - H I O Sr -
Comments: Peter, S.; Cockcroft, J. K.; Roisnel, T.; Lutz, H. D. Distance limits of OH···Y hydrogen bonds (Y = Cl, Br, I) in solid hydroxides, structure refinement of laurionite-type Ba(OD)I, Sr(OD)I and Sr(OH)I by neutron and synchrotron X-ray powder diffraction Acta Crystallographica Section B 52(3) (1996) 423-427
Space group: P n m a
Cell volume: 352.472
Cell parameters: 7.7294; 4.24697; 10.7374; 90; 90; 90;

COD ID: 2101540
CIF file Original IUCr paper	Formula: - C7 H8 K2 O7 S2 - Comments: Nagel, N.; Eller, P.; Bock, H. Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents? Acta Crystallographica Section B 52(3) (1996) 562-568 Space group: P 1 21/c 1 Cell volume: 1195.9 Cell parameters: 10.674; 10.79; 10.543; 90; 99.97; 90;

COD ID: 2101541
CIF file Original IUCr paper	Formula: - C10 H17 K N O6.5 S2 - Comments: Nagel, N.; Eller, P.; Bock, H. Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents? Acta Crystallographica Section B 52(3) (1996) 562-568 Space group: P 1 21/m 1 Cell volume: 1506.3 Cell parameters: 10.891; 6.657; 21.212; 90; 101.64; 90;

COD ID: 2101542

Formula: - C11 H14 N6 -
Comments: Karfunkel, H. R.; Wu, Z. J.; Burkhard, A.; Rihs, G.; Sinnreich, D.; Buerger, H. M.; Stanek, J. Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone Acta Crystallographica Section B 52(3) (1996) 555-561
Space group: P -1
Cell volume: 571.585
Cell parameters: 10.717; 7.762; 7.418; 71.078; 82.838; 78.941;

COD ID: 2101543

Formula: - C11 H14 N6 -
Comments: Karfunkel, H. R.; Wu, Z. J.; Burkhard, A.; Rihs, G.; Sinnreich, D.; Buerger, H. M.; Stanek, J. Crystal packing calculations and Rietveld refinement in elucidating the crystal structures of two modifications of 4-amidinoindanone guanylhydrazone Acta Crystallographica Section B 52(3) (1996) 555-561
Space group: P 1 21/c 1
Cell volume: 1123.7
Cell parameters: 8.09; 7.929; 17.518; 90; 90; 90;

COD ID: 2101544
CIF file Original IUCr paper	Formula: - C18 H20 Cl2 N2 O4 - Comments: Wozniak, K.; Wilson, C. C.; Knight, K. S.; Jones, W.; Grech, E. Neutron diffraction of a complex of 1,8-bis(dimethylamino)naphthalene with 1,2-dichloromaleic acid Acta Crystallographica Section B 52(4) (1996) 691-696 Space group: P n m a Cell volume: 1814 Cell parameters: 18.086; 6.983; 14.363; 90; 90; 90;

COD ID: 2101545
CIF file Original IUCr paper	Formula: - Ba Cu O5 Y2 - Comments: Hsu, Rebekah M.; Maslen, Edward N.; Ishizawa, Nobuo A synchrotron X-ray study of the electron density in Y~2~BaCuO~5~ Acta Crystallographica Section B 52(4) (1996) 569-575 Space group: P n m a Cell volume: 491.59 Cell parameters: 12.1793; 5.6591; 7.1323; 90; 90; 90;

COD ID: 2101546

Formula: - C28 H51 N O5 -
Comments: Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K. Structures of three inclusion compounds of cholanamide with either (S)-enantiomer, (R)-enantiomer or an optically resolved mixture of butan-2-ol Acta Crystallographica Section B 52(4) (1996) 728-733
Space group: P 1 21 1
Cell volume: 1412.5
Cell parameters: 13.226; 7.871; 14.028; 90; 104.71; 90;

COD ID: 2101547

Formula: - C28 H51 N O5 -
Comments: Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K. Structures of three inclusion compounds of cholanamide with either (S)-enantiomer, (R)-enantiomer or an optically resolved mixture of butan-2-ol Acta Crystallographica Section B 52(4) (1996) 728-733
Space group: P 1 21 1
Cell volume: 1417.7
Cell parameters: 13.286; 7.853; 14.075; 90; 105.12; 90;

COD ID: 2101548

Formula: - C28 H51 N O5 -
Comments: Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K. Structures of three inclusion compounds of cholanamide with either (S)-enantiomer, (R)-enantiomer or an optically resolved mixture of butan-2-ol Acta Crystallographica Section B 52(4) (1996) 728-733
Space group: P 1 21 1
Cell volume: 1415.8
Cell parameters: 13.251; 7.869; 14.045; 90; 104.82; 90;

COD ID: 2101549
CIF file Original IUCr paper	Formula: - Cl La O - Comments: E. N. Maslen; V. A. Streltsov; N. R. Streltsova; N. Ishizawa Synchrotron X-ray electron density in the layered LaOCl structure Acta Crystallographica Section B 52(4) (1996) 576-579 Space group: P 4/n m m :2 Cell volume: 116.83 Cell parameters: 4.1198; 4.1198; 6.8831; 90; 90; 90;

COD ID: 2101550
CIF file Original IUCr paper	Formula: - C11 H12 N2 O2 - Comments: Halcrow, M. A.; Powell, H. R.; Duer, M. J. Tautomerism in 3{5}-(dimethoxyphenyl)pyrazoles Acta Crystallographica Section B 52(4) (1996) 746-752 Space group: P 1 21/c 1 Cell volume: 1056.7 Cell parameters: 11.376; 6.4421; 14.419; 90; 90.01; 90;

COD ID: 2101551
CIF file Original IUCr paper	Formula: - C11 H13 N2 O2.5 - Comments: Halcrow, M. A.; Powell, H. R.; Duer, M. J. Tautomerism in 3{5}-(dimethoxyphenyl)pyrazoles Acta Crystallographica Section B 52(4) (1996) 746-752 Space group: C 1 2/c 1 Cell volume: 2196.5 Cell parameters: 30.524; 8.9917; 8.1542; 90; 101.057; 90;

COD ID: 2101552
CIF file Original IUCr paper	Formula: - C4 H4 F8 N3 O2 P3 - Comments: Wang, Z.; Willett, R. D.; Elias, A. J.; Kirchmeier, R. L.; Shreeve, J. M. Structure of the polytypic β-form of P~3~N~3~(OCH~2~CF~2~CF~2~CH~2~O)F~4~ Acta Crystallographica Section B 52(4) (1996) 643-650 Space group: P -1 Cell volume: 3677.8 Cell parameters: 12.392; 16.569; 19.257; 110.22; 90.02; 97.1;

COD ID: 2101553

Formula: - C16 H12 Cl F3 N2 O2 S -
Comments: Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S. Planarity of nitro-substituted phenothiazines Acta Crystallographica Section B 52(4) (1996) 713-719
Space group: P 1 21/c 1
Cell volume: 1628.52
Cell parameters: 6.0144; 22.4675; 12.0544; 90; 91.224; 90;

COD ID: 2101554

Formula: - C16 H15 Cl N2 O2 S -
Comments: Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S. Planarity of nitro-substituted phenothiazines Acta Crystallographica Section B 52(4) (1996) 713-719
Space group: P 1 21/c 1
Cell volume: 1534.8
Cell parameters: 9.3191; 18.4382; 9.206; 90; 104.004; 90;

COD ID: 2101555
CIF file Original IUCr paper	Formula: - C12 H5 F3 N2 O2 S - Comments: Brock, C. P.; DeLaLuz, P. J.; Golinski, M.; Lloyd, M. A.; Vanaman, T. C.; Watt, D. S. Planarity of nitro-substituted phenothiazines Acta Crystallographica Section B 52(4) (1996) 713-719 Space group: P -1 Cell volume: 1148.6 Cell parameters: 6.9087; 11.9009; 14.3626; 85.715; 78.994; 82.86;

COD ID: 2101556
CIF file Original IUCr paper	Formula: - Al3 Cl Na4 O12 Si3 - Comments: McMullan, R. K.; Ghose, S.; Haga, N.; Schomaker, V. Sodalite, Na~4~Si~3~Al~3~O~12~Cl: structure and ionic mobility at high temperatures by neutron diffraction Acta Crystallographica Section B 52(4) (1996) 616-627 Space group: P -4 3 n Cell volume: 700.7 Cell parameters: 8.882; 8.882; 8.882; 90; 90; 90;

COD ID: 2101557
CIF file Original IUCr paper	Formula: - C9 H10 Cl2 N2 O - Comments: Pfefer, G.; Boistelle, R. Experimental and theoretical morphologies of diuron, <i>N</i>'-(3,4-dichlorophenyl)-<i>N</i>,<i>N</i>-dimethylurea Acta Crystallographica, Section B: Structural Science 52(4) (1996) 662-667 Space group: P 1 21/a 1 Cell volume: 1020.38 Cell parameters: 9.191; 14.632; 7.738; 90; 101.32; 90;

COD ID: 2101558
CIF file Original IUCr paper	Formula: - C8 H10 O2 - Comments: Yufit, D. S.; Mallinson, P. R.; Muir, K. W.; Kozhushkov, S. I.; De Meijere, A. Experimental charge density study of 7-dispiro[2.0.2.1]heptane carboxylic acid Acta Crystallographica Section B 52(4) (1996) 668-676 Space group: P 1 21/c 1 Cell volume: 705.95 Cell parameters: 6.386; 11.264; 10.105; 90; 103.78; 90;

COD ID: 2101559
CIF file Original IUCr paper	Formula: - O6 Sb2 W - Comments: Ling, C. D.; Withers, R. L.; Rae, A. D.; Schmid, S.; Thompson, J. G. Antiferroelectric modulations in Sb~2~WO~6~ and Sb~2~MoO~6~ Acta Crystallographica Section B 52(4) (1996) 610-615 Space group: F -1 Cell volume: 2021.4 Cell parameters: 11.132; 9.896; 18.482; 90.2; 96.87; 90.21;

COD ID: 2101560
CIF file Original IUCr paper	Formula: - Bi2 Rh - Comments: Ruck, M. Kristallstruktur und zwillingsbildung der intermetallischen phase β-Bi~2~Rh Acta Crystallographica Section B 52(4) (1996) 605-609 Space group: P -1 Cell volume: 299.74 Cell parameters: 6.743; 7.03; 7.067; 104.76; 100.73; 105.79;

COD ID: 2101561
CIF file Original IUCr paper	Formula: - C10 H8 F N O2 - Comments: Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D. Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B 52(4) (1996) 651-661 Space group: C 1 2/c 1 Cell volume: 1733.6 Cell parameters: 17.294; 13.875; 7.442; 90; 103.88; 90;

COD ID: 2101562
CIF file Original IUCr paper	Formula: - C10 H8 F N O2 - Comments: Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D. Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B 52(4) (1996) 651-661 Space group: P 1 21/c 1 Cell volume: 865.9 Cell parameters: 19.284; 5.083; 9.939; 90; 117.28; 90;

COD ID: 2101563
CIF file Original IUCr paper	Formula: - C10 H8 F N O2 - Comments: Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D. Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B 52(4) (1996) 651-661 Space group: P 1 21/a 1 Cell volume: 856.7 Cell parameters: 9.36; 5.167; 17.751; 90; 93.75; 90;

COD ID: 2101564
CIF file Original IUCr paper	Formula: - C10 H8 F N O2 - Comments: Antolić, A.; Kojić-Prodić, B.; Tomić, S.; Nigović, B.; Magnus, V.; Cohen, J. D. Structural studies on monofluorinated derivatives of the phytohormone indole-3-acetic acid (auxin) Acta Crystallographica Section B 52(4) (1996) 651-661 Space group: P 1 21/a 1 Cell volume: 856.3 Cell parameters: 9.935; 5.0059; 17.61; 90; 102.13; 90;

COD ID: 2101565
CIF file Original IUCr paper	Formula: - C12 H12 Br2 O6 - Comments: Näther, C.; Nagel, N.; Bock, H.; Seitz, W.; Havlas, Z. Structural, kinetic and thermodynamic aspects of the conformational dimorphism of diethyl 3,6-dibromo-2,5-dihydroxyterephthalate Acta Crystallographica Section B 52(4) (1996) 697-706 Space group: P 1 21/n 1 Cell volume: 1441.3 Cell parameters: 9.622; 7.853; 19.103; 90; 93.11; 90;

COD ID: 2101566
CIF file Original IUCr paper	Formula: - C12 H12 Br2 O6 - Comments: Näther, C.; Nagel, N.; Bock, H.; Seitz, W.; Havlas, Z. Structural, kinetic and thermodynamic aspects of the conformational dimorphism of diethyl 3,6-dibromo-2,5-dihydroxyterephthalate Acta Crystallographica Section B 52(4) (1996) 697-706 Space group: P 1 21/c 1 Cell volume: 1429.2 Cell parameters: 8.267; 25.037; 7.526; 90; 113.44; 90;

COD ID: 2101567
CIF file Original IUCr paper	Formula: - C16 H24 Br2 O8 - Comments: Näther, C.; Nagel, N.; Bock, H.; Seitz, W.; Havlas, Z. Structural, kinetic and thermodynamic aspects of the conformational dimorphism of diethyl 3,6-dibromo-2,5-dihydroxyterephthalate Acta Crystallographica Section B 52(4) (1996) 697-706 Space group: P -1 Cell volume: 500.9 Cell parameters: 8.002; 8.232; 8.966; 116.82; 96.1; 102.29;

COD ID: 2101568
CIF file Original IUCr paper	Formula: - Ce2 Ga15 Pt6 - Comments: Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C. Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers Acta Crystallographica Section B 52(4) (1996) 580-585 Space group: P 63/m m c Cell volume: 268.1 Cell parameters: 4.3267; 4.3267; 16.5369; 90; 90; 120;

COD ID: 2101569
CIF file Original IUCr paper	Formula: - Ce2 Ga15 Pt6 - Comments: Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C. Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers Acta Crystallographica Section B 52(4) (1996) 580-585 Space group: P 63/m m c Cell volume: 269.6 Cell parameters: 4.335; 4.335; 16.564; 90; 90; 120;

COD ID: 2101570
CIF file Original IUCr paper	Formula: - Ce2 Ga15 Pt6 - Comments: Kwei, G. H.; Lawson, A. C.; Larson, A. C.; Morosin, B.; Larson, E. M.; Canfield, P. C. Structure of Ce~2~Pt~6~Ga~15~: interplanar disorder from the Ce~2~Ga~3~ layers Acta Crystallographica Section B 52(4) (1996) 580-585 Space group: P 63/m m c Cell volume: 267.76 Cell parameters: 4.3259; 4.3259; 16.522; 90; 90; 120;

COD ID: 2101571

Formula: - C12 H15 N O4 -
Comments: Kruger, H. G.; Martins, F. J. C.; Viljoen, A. M.; Boeyens, J. C. A.; Cook, L. M.; Levendis, D. C. Structure and conformation of the hydrate of 8,11-dihydroxypentacyclo[5.4.0.0^2,6^.0^3,10^.0^5,9^]undecane-8,11-carbolactam Acta Crystallographica Section B 52(5) (1996) 838-841
Space group: C 1 2/c 1
Cell volume: 2134
Cell parameters: 10.03; 9.84; 21.625; 90; 90.87; 90;

COD ID: 2101572
CIF file Original IUCr paper	Formula: - C H8 F6 N4 Zr - Comments: Abrahams, S. C.; Mirsky, K.; Nielson, R. M. Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2 Acta Crystallographica Section B 52(5) (1996) 806-809 Space group: P b a 2 Cell volume: 1399.5 Cell parameters: 10.089; 18.349; 7.56; 90; 90; 90;

COD ID: 2101573
CIF file Original IUCr paper	Formula: - Ba0.6 Bi K0.4 O2.3 - Comments: Abrahams, S. C.; Mirsky, K.; Nielson, R. M. Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2 Acta Crystallographica Section B 52(5) (1996) 806-809 Space group: P b a 2 Cell volume: 322.317 Cell parameters: 6.127; 12.016; 4.378; 90; 90; 90;

COD ID: 2101574
CIF file Original IUCr paper	Formula: - Cl10 Mo N O P2 - Comments: Abrahams, S. C.; Mirsky, K.; Nielson, R. M. Prediction of ferroelectricity in recent Inorganic Crystal Structure Database entries under space group <i>Pba</i>2 Acta Crystallographica Section B 52(5) (1996) 806-809 Space group: P b a 2 Cell volume: 757.2 Cell parameters: 15.984; 11.412; 4.151; 90; 90; 90;

COD ID: 2101575
CIF file Original IUCr paper	Formula: - C4 Br0.3 D6 K2 N4 O3 Pt - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 4 m m Cell volume: 566.5 Cell parameters: 9.897; 9.897; 5.784; 90; 90; 90;

COD ID: 2101576
CIF file Original IUCr paper	Formula: - Ba Cu Fe O5 Y - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 4 m m Cell volume: 114.17 Cell parameters: 3.865; 3.865; 7.6425; 90; 90; 90;

COD ID: 2101577
CIF file Original IUCr paper	Formula: - Ba2 O8 Si2 Ti - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 4 b m Cell volume: 378.85 Cell parameters: 8.527; 8.527; 5.2104; 90; 90; 90;

COD ID: 2101578
CIF file Original IUCr paper	Formula: - N2 S4 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 42 n m Cell volume: 468.7 Cell parameters: 11.146; 11.146; 3.773; 90; 90; 90;

COD ID: 2101579
CIF file Original IUCr paper	Formula: - As2 Ba Ge2 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 42 m c Cell volume: 493.3 Cell parameters: 7.618; 7.618; 8.5; 90; 90; 90;

COD ID: 2101580
CIF file Original IUCr paper	Formula: - Pu S2 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 4 m m Cell volume: 123.8 Cell parameters: 3.943; 3.943; 7.962; 90; 90; 90;

COD ID: 2101581
CIF file Original IUCr paper	Formula: - Cl3 Cs Eu - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 4 m m Cell volume: 175.5 Cell parameters: 5.588; 5.588; 5.619; 90; 90; 90;

COD ID: 2101582
CIF file Original IUCr paper	Formula: - Nd0.33 O3 Ta - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 4 m m Cell volume: 237.58 Cell parameters: 7.822; 7.822; 3.883; 90; 90; 90;

COD ID: 2101583
CIF file Original IUCr paper	Formula: - Mn0.04 Ni0.04 O3 Pb Ti0.04 Zr0.44 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 4 m m Cell volume: 66.952 Cell parameters: 4.0382; 4.0382; 4.1057; 90; 90; 90;

COD ID: 2101584
CIF file Original IUCr paper	Formula: - Ba Cl Cu K O7 V2 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 4 b m Cell volume: 429.29 Cell parameters: 8.8581; 8.8581; 5.4711; 90; 90; 90;

COD ID: 2101585
CIF file Original IUCr paper	Formula: - Ba6 Co Nb9 O30 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 4 b m Cell volume: 635.358 Cell parameters: 12.589; 12.589; 4.009; 90; 90; 90;

COD ID: 2101586
CIF file Original IUCr paper	Formula: - K2 Nb2 O14 Si4 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 4 b m Cell volume: 621.55 Cell parameters: 8.7404; 8.7404; 8.136; 90; 90; 90;

COD ID: 2101587
CIF file Original IUCr paper	Formula: - Cr N Nb - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 4 b m Cell volume: 135.012 Cell parameters: 4.283; 4.283; 7.36; 90; 90; 90;

COD ID: 2101588
CIF file Original IUCr paper	Formula: - K2 O7 Zn6 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 42 n m Cell volume: 395.914 Cell parameters: 10.912; 10.912; 3.325; 90; 90; 90;

COD ID: 2101589
CIF file Original IUCr paper	Formula: - O6 Se2 V - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 4 c c Cell volume: 989 Cell parameters: 11.22; 11.22; 7.86; 90; 90; 90;

COD ID: 2101590
CIF file Original IUCr paper	Formula: - H3 Na O3 Zn - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: P 42 b c Cell volume: 623.6 Cell parameters: 10.839; 10.839; 5.308; 90; 90; 90;

COD ID: 2101591
CIF file Original IUCr paper	Formula: - Mn O6 Sb Sr2 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: I 4 m m Cell volume: 245.48 Cell parameters: 5.526; 5.526; 8.039; 90; 90; 90;

COD ID: 2101592
CIF file Original IUCr paper	Formula: - Cu K Na2 O2 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: I 4 m m Cell volume: 203.9 Cell parameters: 4.327; 4.327; 10.891; 90; 90; 90;

COD ID: 2101593
CIF file Original IUCr paper	Formula: - Cl6 H3 In K3 O1.5 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: I 4 m m Cell volume: 5092 Cell parameters: 16.563; 16.563; 18.563; 90; 90; 90;

COD ID: 2101594
CIF file Original IUCr paper	Formula: - K1.14 Mg0.57 O4 Si1.43 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: I 4 m m Cell volume: 423.68 Cell parameters: 8.957; 8.957; 5.281; 90; 90; 90;

COD ID: 2101595
CIF file Original IUCr paper	Formula: - Al F5 H4 Hg2 O4 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: I 4 c m Cell volume: 633.4 Cell parameters: 9.353; 9.353; 7.241; 90; 90; 90;

COD ID: 2101596
CIF file Original IUCr paper	Formula: - F18 Nb3 O Rb5 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: I 4 c m Cell volume: 1878.6 Cell parameters: 15.525; 15.525; 7.794; 90; 90; 90;

COD ID: 2101597
CIF file Original IUCr paper	Formula: - Ag S2 Yb - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: I 41 m d Cell volume: 338.59 Cell parameters: 5.356; 5.356; 11.803; 90; 90; 90;

COD ID: 2101598
CIF file Original IUCr paper	Formula: - Ni2 O8 Sr V2 - Comments: Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B 52(5) (1996) 790-805 Space group: I 41 c d Cell volume: 1231.3 Cell parameters: 12.1617; 12.1617; 8.3247; 90; 90; 90;

COD ID: 2101599
CIF file Original IUCr paper	Formula: - C D3 F - Comments: Ibberson, R. M.; Prager, M. The <i>ab initio</i> crystal structure determination of vapour-deposited methyl fluoride by high-resolution neutron powder diffraction Acta Crystallographica Section B 52(5) (1996) 892-895 Space group: P 1 21/n 1 Cell volume: 187.167 Cell parameters: 6.4373; 7.5023; 3.9598; 90; 101.842; 90;

COD ID: 2101600

Formula: - H4 O9 P2 Ti -
Comments: Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T. Neutron powder diffraction study of α-Ti(HPO~4~)~2~.H~2~O and α-Hf(HPO~4~)~2~.H~2~O; H-atom positions Acta Crystallographica Section B 52(5) (1996) 896-898
Space group: P 1 21/c 1
Cell volume: 651.7
Cell parameters: 8.611; 4.9933; 16.1507; 90; 110.206; 90;

COD ID: 2101601

Formula: - H4 Hf O9 P2 -
Comments: Salvadó, M. A.; Pertierra, P.; García-Granda, S.; García, J. R.; Rodríguez, J.; Fernández-Díaz, M. T. Neutron powder diffraction study of α-Ti(HPO~4~)~2~.H~2~O and α-Hf(HPO~4~)~2~.H~2~O; H-atom positions Acta Crystallographica Section B 52(5) (1996) 896-898
Space group: P 1 21/c 1
Cell volume: 713.37
Cell parameters: 8.9955; 5.2439; 16.224; 90; 111.234; 90;

COD ID: 2101602
CIF file Original IUCr paper	Formula: - C12 H8 N4 Pt - Comments: Connick, W. B.; Henling, L. M.; Marsh, R. E. A revision of the structure of (bipyridyl-<i>N</i>,<i>N</i>')-dicyanoplatinum(II) Acta Crystallographica Section B 52(5) (1996) 817-822 Space group: C m c m Cell volume: 1130.9 Cell parameters: 18.142; 9.361; 6.659; 90; 90; 90;

COD ID: 2101603
CIF file Original IUCr paper	Formula: - C21 H46 N3 O7 P - Comments: Souhassou, M.; Schaber, P. M.; Blessing, R. H. Structure of tris(cyclohexylammonium) phosphoenolpyruvate monohydrate and crystal chemistry of phosphoenolpyruvates Acta Crystallographica Section B 52(5) (1996) 865-875 Space group: P 21 21 21 Cell volume: 2613.49 Cell parameters: 16.7042; 24.4881; 6.3891; 90; 90; 90;

COD ID: 2101604

Formula: - C8 Cl4 D32 I2 N8 O16 Pt2 -
Comments: Bardeau, J.-F.; Bulou, A.; Klooster, W. T.; Koetzle, T. F.; Johnson, S.; Scott, B.; Swanson, B. I.; Eckert, J. Neutron diffraction study of [Pt(en)~2~][Pt(en)~2~I~2~](ClO~4~)~4~ at 20 K: structure and evidence of a new phase transition Acta Crystallographica Section B 52(5) (1996) 854-864
Space group: C 1 2/c 1
Cell volume: 1396.5
Cell parameters: 16.65; 5.76; 14.751; 90; 99.19; 90;

COD ID: 2101605
CIF file Original IUCr paper	Formula: - Ba0.85 Ca2.15 In6 O12 - Comments: Baldinozzi, G.; Goutenoire, F.; Hervieu, M.; Suard, E.; Grebille, D. Incommensurate modulated disorder in Ba~0.85~Ca~2.15~In~6~O~12~ Acta Crystallographica Section B 52(5) (1996) 780-789 Space group: P 63/m Cell volume: 272.395 Cell parameters: 9.888; 9.888; 3.217; 90; 90; 120;

COD ID: 2101606

Formula: - C5 Ca Cl2 D15 N O4 -
Comments: Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M. Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate Acta Crystallographica Section B 52(5) (1996) 810-816
Space group: P n m a
Cell volume: 1203
Cell parameters: 10.95; 10.15; 10.82; 90; 90; 90;

COD ID: 2101607

Formula: - C5 Ca Cl2 D15 N O4 -
Comments: Ezpeleta, J. M.; Zúñiga, F. J.; Paulus, W.; Cousson, A.; Hlinka, J.; Quilichini, M. Structures of room-temperature and ferroelectric (35 K) phases of deuterated betaine calcium chloride dihydrate Acta Crystallographica Section B 52(5) (1996) 810-816
Space group: P n 21 a
Cell volume: 1177.7
Cell parameters: 10.905; 10; 10.8; 90; 90; 90;

COD ID: 2101608

Formula: - C8 H13 N3 O5 -
Comments: Suresh, S.; Vijayan, M. X-ray studies on crystalline complexes involving amino acids and peptides. XXX. Structural invariance and optical resolution through interactions with an achiral molecule in the histidine complexes of glycolic acid Acta Crystallographica Section B 52(5) (1996) 876-881
Space group: P 1 21/c 1
Cell volume: 1002.8
Cell parameters: 5.248; 26.485; 7.248; 90; 95.47; 90;

COD ID: 2101609

Formula: - C8 H13 N3 O5 -
Comments: Suresh, S.; Vijayan, M. X-ray studies on crystalline complexes involving amino acids and peptides. XXX. Structural invariance and optical resolution through interactions with an achiral molecule in the histidine complexes of glycolic acid Acta Crystallographica Section B 52(5) (1996) 876-881
Space group: P 21 21 21
Cell volume: 1002.1
Cell parameters: 5.084; 11.012; 17.899; 90; 90; 90;

COD ID: 2101610
CIF file Original IUCr paper	Formula: - K Li O5 Si2 - Comments: de Jong, B. H. W. S.; Supèr, H. T. J.; Spek, A. L.; Veldman, N.; van Wezel, W.; van der Mee, V. Structure of KLiSi~2~O~5~ and the hygroscopicity of glassy mixed alkali disilicates Acta Crystallographica Section B 52(5) (1996) 770-776 Space group: P 1 21 1 Cell volume: 233.78 Cell parameters: 5.9803; 4.7996; 8.1599; 90; 93.477; 90;

COD ID: 2101611

Formula: - C16 H14 F3 N O3 S -
Comments: Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [N-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^O,O',O'',O''',O''''](picrate-κ^2^-O,O')potassium, and [N,N'-bis(6-phenanthridinyl-κN-methyl)-7,16-diaza-18-crown-6-κ^4^O,O',O'',O''']sodium iodide dichloromethane solvate Acta Crystallographica Section B 52(5) (1996) 823-837
Space group: P 1 21/n 1
Cell volume: 1541.7
Cell parameters: 6.816; 23.687; 9.966; 90; 106.63; 90;

COD ID: 2101612

Formula: - C32 H36 K N5 O12 -
Comments: Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [N-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^O,O',O'',O''',O''''](picrate-κ^2^-O,O')potassium, and [N,N'-bis(6-phenanthridinyl-κN-methyl)-7,16-diaza-18-crown-6-κ^4^O,O',O'',O''']sodium iodide dichloromethane solvate Acta Crystallographica Section B 52(5) (1996) 823-837
Space group: P -1
Cell volume: 1648.2
Cell parameters: 9.189; 11.786; 15.805; 83.39; 88.29; 75.78;

COD ID: 2101613

Formula: - C41 H46 Cl2 I N4 Na O4 -
Comments: Kojić-Prodić, Biserka; Kiralj, Rudolf; Žinić, Mladen; Alihodžić, Sulejman; Trinajstić, Nenad Bond length‒bond order relations and calculated geometries for some benzenoid aromatics, including phenanthridine. Structures of 5,6-dimethylphenanthridinium triflate, [N-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^O,O',O'',O''',O''''](picrate-κ^2^-O,O')potassium, and [N,N'-bis(6-phenanthridinyl-κN-methyl)-7,16-diaza-18-crown-6-κ^4^O,O',O'',O''']sodium iodide dichloromethane solvate Acta Crystallographica Section B 52(5) (1996) 823-837
Space group: I 2 2 2
Cell volume: 4000.7
Cell parameters: 10.453; 13.417; 28.526; 90; 90; 90;

COD ID: 2101614
CIF file Original IUCr paper	Formula: - C10 H9 N3 - Comments: Schödel, H.; Näther, C.; Bock, H.; Butenschön, F. Trimorphism of 2,2'-dipyridylamine: structures, phase transitions and thermodynamic stabilities Acta Crystallographica Section B 52(5) (1996) 842-853 Space group: P 1 21/c 1 Cell volume: 1740.6 Cell parameters: 8.958; 8.161; 24.104; 90; 98.98; 90;

COD ID: 2101615
CIF file Original IUCr paper	Formula: - C10 H9 N3 - Comments: Schödel, H.; Näther, C.; Bock, H.; Butenschön, F. Trimorphism of 2,2'-dipyridylamine: structures, phase transitions and thermodynamic stabilities Acta Crystallographica Section B 52(5) (1996) 842-853 Space group: P 1 21/c 1 Cell volume: 1780.6 Cell parameters: 9.001; 8.262; 24.234; 90; 98.88; 90;

COD ID: 2101616

Formula: - C6 H14 N4 O6 -
Comments: Videnova-Adrabińska, V. Symmetry constraints, molecular recognition and crystal engineering. Comparative structural studies of urea‒butanedioic and urea‒E-butanedioic acid (2:1) cocrystals Acta Crystallographica Section B 52(6) (1996) 1048-1056
Space group: P 1 21/c 1
Cell volume: 565.6
Cell parameters: 5.637; 8.243; 12.258; 90; 96.8; 90;

COD ID: 2101617

Formula: - C6 H12 N4 O6 -
Comments: Videnova-Adrabińska, V. Symmetry constraints, molecular recognition and crystal engineering. Comparative structural studies of urea‒butanedioic and urea‒E-butanedioic acid (2:1) cocrystals Acta Crystallographica Section B 52(6) (1996) 1048-1056
Space group: P 1 21/c 1
Cell volume: 561.86
Cell parameters: 5.54; 8.227; 12.426; 90; 97.22; 90;

COD ID: 2101618
CIF file Original IUCr paper	Formula: - Cl2 H6 N2 Pd - Comments: Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L. Structures and isomerization in diamminedichloropalladium(II) Acta Crystallographica Section B 52(6) (1996) 909-916 Space group: P 1 Cell volume: 131.786 Cell parameters: 6.3121; 6.4984; 3.3886; 96.604; 97.29; 104.691;

COD ID: 2101619
CIF file Original IUCr paper	Formula: - Cl2 H6 N2 Pd - Comments: Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L. Structures and isomerization in diamminedichloropalladium(II) Acta Crystallographica Section B 52(6) (1996) 909-916 Space group: P -1 Cell volume: 262.58 Cell parameters: 6.5398; 6.8571; 6.3573; 103.311; 102.454; 100.609;

COD ID: 2101620
CIF file Original IUCr paper	Formula: - Cl2 H6 N2 Pd - Comments: Kirik, S. D.; Solovyov, L. A.; Blokhin, A. I.; Yakimov, I. S.; Blokhina, M. L. Structures and isomerization in diamminedichloropalladium(II) Acta Crystallographica Section B 52(6) (1996) 909-916 Space group: P b c a Cell volume: 517.87 Cell parameters: 8.154; 8.1482; 7.7945; 90; 90; 90;

COD ID: 2101621

Formula: - Mo O5 U -
Comments: D'yachenko, O. G.; Tabachenko, V. V.; Tali, R.; Kovba, L. M.; Marinder, B.-O.; Sundberg, M. Structure of UMoO~5~ studied by single-crystal X-ray diffraction and high-resolution transmission electron microscopy Acta Crystallographica Section B 52(6) (1996) 961-965
Space group: P b a a
Cell volume: 386.43
Cell parameters: 12.746; 7.3494; 4.1252; 90; 90; 90;

COD ID: 2101622

Formula: - Nb2.11 O14 Sb3.89 Ti -
Comments: Ling, C. D.; Schmid, S.; Thompson, J. G.; Withers, R. L.; Sterns, M. Synthesis and structure refinement of a new type of layered intergrowth phase: Sb~3+x~Nb~3{-~x}TiO~14~ and Sb~3+x~Ta~3{-~x}TiO~14~ Acta Crystallographica Section B 52(6) (1996) 932-938
Space group: A 1 2/a 1
Cell volume: 1080.7
Cell parameters: 5.519; 4.865; 40.256; 90; 91.02; 90;

COD ID: 2101623

Formula: - O14 Sb4.26 Ta1.74 Ti -
Comments: Ling, C. D.; Schmid, S.; Thompson, J. G.; Withers, R. L.; Sterns, M. Synthesis and structure refinement of a new type of layered intergrowth phase: Sb~3+x~Nb~3{-~x}TiO~14~ and Sb~3+x~Ta~3{-~x}TiO~14~ Acta Crystallographica Section B 52(6) (1996) 932-938
Space group: A 1 2/a 1
Cell volume: 1066.79
Cell parameters: 5.492; 4.837; 40.165; 90; 91.08; 90;

COD ID: 2101624
CIF file Original IUCr paper	Formula: - C11 H32 N8 O3 S3 - Comments: Li, Q.; Mak, T. C. W. Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions Acta Crystallographica Section B 52(6) (1996) 989-998 Space group: P -1 Cell volume: 2201.4 Cell parameters: 10.3; 14.704; 15.784; 75.3; 86.98; 72.25;

COD ID: 2101625
CIF file Original IUCr paper	Formula: - C15 H42 N8 O4 S3 - Comments: Li, Q.; Mak, T. C. W. Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions Acta Crystallographica Section B 52(6) (1996) 989-998 Space group: P 1 21/n 1 Cell volume: 2714.4 Cell parameters: 8.433; 9.369; 34.361; 90; 91.01; 90;

COD ID: 2101626
CIF file Original IUCr paper	Formula: - C5 H16 N4 O3 S - Comments: Li, Q.; Mak, T. C. W. Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions Acta Crystallographica Section B 52(6) (1996) 989-998 Space group: P n m a Cell volume: 1125.1 Cell parameters: 15.72; 8.218; 8.709; 90; 90; 90;

COD ID: 2101627
CIF file Original IUCr paper	Formula: - C13 H32 N4 O3 S - Comments: Li, Q.; Mak, T. C. W. Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions Acta Crystallographica Section B 52(6) (1996) 989-998 Space group: P 1 21/n 1 Cell volume: 1908.4 Cell parameters: 8.784; 14.421; 15.078; 90; 92.31; 90;

COD ID: 2101628
CIF file Original IUCr paper	Formula: - C17 H40 N4 O3 S - Comments: Li, Q.; Mak, T. C. W. Inclusion compounds of thiourea and peralkylated ammonium salts. III. Hydrogen-bonded host lattices built of thiourea and nitrate ions Acta Crystallographica Section B 52(6) (1996) 989-998 Space group: P n a 21 Cell volume: 2298.1 Cell parameters: 19.934; 12.68; 9.092; 90; 90; 90;

COD ID: 2101629
CIF file Original IUCr paper	Formula: - In3 O8 P2 - Comments: Peltier, V.; L'Haridon, P.; Marchand, R.; Laurent, Y. Synthèse et caractérisation structurale d'un phosphate d'indium In~3~P~2~O~8~ présentant des paires In‒In Acta Crystallographica Section B 52(6) (1996) 905-908 Space group: I -4 3 d Cell volume: 1386.9 Cell parameters: 11.152; 11.152; 11.152; 90; 90; 90;

COD ID: 2101630

Formula: - C6 H5 O3 P Pb -
Comments: Cabeza, A.; Aranda, M. A. G.; Martinez-Lara, M.; Bruque, S.; Sanz, J. Ab initio powder structure determination and thermal behavior of a new lead(II) phenylphosphonate, Pb(O~3~PC~6~H~5~) Acta Crystallographica Section B 52(6) (1996) 982-988
Space group: P -1
Cell volume: 851.04
Cell parameters: 13.6907; 9.3327; 7.0432; 106.188; 94.927; 96.977;

COD ID: 2101631

Formula: - C21 H21 N O -
Comments: Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J. Structures and photochemistry of dibenzobarrelene monoamides Acta Crystallographica Section B 52(6) (1996) 1007-1013
Space group: P b c a
Cell volume: 3321
Cell parameters: 31.863; 11.088; 9.4; 90; 90; 90;

COD ID: 2101632

Formula: - C23 H25 N O -
Comments: Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J. Structures and photochemistry of dibenzobarrelene monoamides Acta Crystallographica Section B 52(6) (1996) 1007-1013
Space group: P 1 21/c 1
Cell volume: 1898.7
Cell parameters: 10.846; 10.788; 17.0463; 90; 107.836; 90;

COD ID: 2101633

Formula: - C32.75 H28.25 Cl0.75 N O -
Comments: Jones, R.; Rattray, A. G. M.; Rettig, S. J.; Scheffer, J. R.; Trotter, J. Structures and photochemistry of dibenzobarrelene monoamides Acta Crystallographica Section B 52(6) (1996) 1007-1013
Space group: P 1 21/a 1
Cell volume: 5136.6
Cell parameters: 10.228; 32.818; 15.529; 90; 99.79; 90;

COD ID: 2101634
CIF file Original IUCr paper	Formula: - C10 H19 N3 O4 - Comments: Görbitz, C. H.; Backe, P. H. Structures of <small>L</small>-valyl-<small>L</small>-glutamine and <small>L</small>-glutamyl-<small>L</small>-valine Acta Crystallographica Section B 52(6) (1996) 999-1006 Space group: P 21 21 2 Cell volume: 1183.4 Cell parameters: 16.419; 15.309; 4.708; 90; 90; 90;

COD ID: 2101635
CIF file Original IUCr paper	Formula: - C10 H18 N2 O5 - Comments: Görbitz, C. H.; Backe, P. H. Structures of <small>L</small>-valyl-<small>L</small>-glutamine and <small>L</small>-glutamyl-<small>L</small>-valine Acta Crystallographica Section B 52(6) (1996) 999-1006 Space group: P 1 21 1 Cell volume: 593.1 Cell parameters: 6.487; 5.505; 16.741; 90; 97.22; 90;

COD ID: 2101636
CIF file Original IUCr paper	Formula: - Cu S2 - Comments: Marcos, C.; Paniagua, A.; Moreiras, D. B.; García-Granda, S.; Díaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Acta Crystallographica Section B 52(6) (1996) 899-904 Space group: P 1 21 1 Cell volume: 186 Cell parameters: 5.709; 5.707; 5.708; 90; 90.01; 90;

COD ID: 2101637
CIF file Original IUCr paper	Formula: - Cu S2 - Comments: Marcos, C.; Paniagua, A.; Moreiras, D. B.; García-Granda, S.; Díaz, M. R. Villamaninite, a case of noncubic pyrite-type structure Acta Crystallographica Section B 52(6) (1996) 899-904 Space group: P 1 21 1 Cell volume: 185.5 Cell parameters: 5.704; 5.703; 5.704; 90; 89.99; 90;

COD ID: 2101638
CIF file Original IUCr paper	Formula: - C14 H26 N4 O4 - Comments: Bussien Gaillard, V.; Paciorek, W.; Schenk, K.; Chapuis, G. Hexamethylenetetramine suberate, a strongly anharmonic modulated structure Acta Crystallographica Section B 52(6) (1996) 1036-1047 Space group: P 1 21 1 Cell volume: 838.76 Cell parameters: 5.9078; 24.542; 5.9151; 90; 102.039; 90;

COD ID: 2101639
CIF file Original IUCr paper	Formula: - C14 H26 N4 O4 - Comments: Bussien Gaillard, V.; Paciorek, W.; Schenk, K.; Chapuis, G. Hexamethylenetetramine suberate, a strongly anharmonic modulated structure Acta Crystallographica Section B 52(6) (1996) 1036-1047 Space group: P 1 21 1 Cell volume: 804.2 Cell parameters: 5.835; 24.202; 5.813; 90; 101.59; 90;

COD ID: 2101640
CIF file Original IUCr paper	Formula: - C4 H8 Co O8 - Comments: Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu Structural relationship of various squarates Acta Crystallographica Section B 52(6) (1996) 966-975 Space group: C 1 2/c 1 Cell volume: 793 Cell parameters: 8.9667; 13.356; 6.7119; 90; 99.412; 90;

COD ID: 2101641
CIF file Original IUCr paper	Formula: - C4 H8 Ni O8 - Comments: Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu Structural relationship of various squarates Acta Crystallographica Section B 52(6) (1996) 966-975 Space group: C 1 2/c 1 Cell volume: 780.7 Cell parameters: 8.9315; 13.246; 6.6893; 90; 99.43; 90;

COD ID: 2101642
CIF file Original IUCr paper	Formula: - C8 H10 Mn O12 - Comments: Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu Structural relationship of various squarates Acta Crystallographica Section B 52(6) (1996) 966-975 Space group: P -1 Cell volume: 303.1 Cell parameters: 5.194; 7.454; 8.9007; 67.07; 77.26; 74.46;

COD ID: 2101643
CIF file Original IUCr paper	Formula: - C8 H10 Fe O12 - Comments: Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu Structural relationship of various squarates Acta Crystallographica Section B 52(6) (1996) 966-975 Space group: P -1 Cell volume: 295.05 Cell parameters: 5.1577; 7.4107; 8.7823; 66.846; 77.109; 74.748;

COD ID: 2101644
CIF file Original IUCr paper	Formula: - C4 H4 Fe O6 - Comments: Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu Structural relationship of various squarates Acta Crystallographica Section B 52(6) (1996) 966-975 Space group: R -3 :H Cell volume: 1643.7 Cell parameters: 11.4395; 11.4395; 14.504; 90; 90; 120;

COD ID: 2101645
CIF file Original IUCr paper	Formula: - C4 H4.67 Co O6.33 - Comments: Lee, Chi-Rung; Wang, Chih-Chieh; Wang, Yu Structural relationship of various squarates Acta Crystallographica Section B 52(6) (1996) 966-975 Space group: P n -3 n :2 Cell volume: 4295 Cell parameters: 16.255; 16.255; 16.255; 90; 90; 90;

COD ID: 2101646

Formula: - C4 H13.12 K0.72 N0.28 Na O10 -
Comments: Suzuki, E.; Kabasawa, H.; Honma, T.; Nozaki, R.; Shiozaki, Y. Temperature dependence of crystal structure of NaK~0.72~(NH~4~)~0.28~(+)-C~4~H~4~O~6~.4H~2~O in the paraelectric phase Acta Crystallographica Section B 52(6) (1996) 976-981
Space group: P 21 21 2
Cell volume: 1054.8
Cell parameters: 11.899; 14.273; 6.211; 90; 90; 90;

COD ID: 2101647
CIF file Original IUCr paper	Formula: - C4 H13.12 K0.72 N0.28 Na O10 - Comments: Suzuki, E.; Kabasawa, H.; Honma, T.; Nozaki, R.; Shiozaki, Y. Temperature dependence of crystal structure of NaK~0.72~(NH~4~)~0.28~(+)-C~4~H~4~O~6~.4H~2~O in the paraelectric phase Acta Crystallographica Section B 52(6) (1996) 976-981 Space group: P 21 21 2 Cell volume: 1061 Cell parameters: 11.929; 14.297; 6.221; 90; 90; 90;

COD ID: 2101648

Formula: - C4 H13.12 K0.72 N0.28 Na O10 -
Comments: Suzuki, E.; Kabasawa, H.; Honma, T.; Nozaki, R.; Shiozaki, Y. Temperature dependence of crystal structure of NaK~0.72~(NH~4~)~0.28~(+)-C~4~H~4~O~6~.4H~2~O in the paraelectric phase Acta Crystallographica Section B 52(6) (1996) 976-981
Space group: P 21 21 2
Cell volume: 1066.5
Cell parameters: 11.955; 14.317; 6.231; 90; 90; 90;

COD ID: 2101649
CIF file Original IUCr paper	Formula: - Nb7 O56 W12.5 Zr0.5 - Comments: Krumeich, F.; Liedtke, G.; Mader, W. A novel intergrowth structure between ReO~3~-type and tetragonal tungsten bronze-type in the Zr/Nb/W/O system Acta Crystallographica Section B 52(6) (1996) 917-922 Space group: P 1 m 1 Cell volume: 1020.67 Cell parameters: 19; 3.9; 13.8; 90; 93.5; 90;

COD ID: 2101650
CIF file Original IUCr paper	Formula: - C5 H9 N O - Comments: Müller, G.; Lutz, M.; Harder, S. Methyl group conformation-determining intermolecular C‒H···O hydrogen bonds: structure of <i>N</i>-methyl-2-pyrrolidone Acta Crystallographica Section B 52(6) (1996) 1014-1022 Space group: P 1 21/c 1 Cell volume: 527.9 Cell parameters: 6.221; 12.076; 7.529; 90; 111.03; 90;

COD ID: 2101651

Formula: - D12 N6 Ni O4 -
Comments: Iversen, B. B.; Larsen, F. K.; Figgis, B. N.; Reynolds, P. A.; Schultz, A. J. Atomic displacement parameters for Ni(ND~3~)~4~(NO~2~)~2~ from 9 K X-ray and 13 K time-of-flight neutron diffraction data Acta Crystallographica Section B 52(6) (1996) 923-931
Space group: C 1 2/m 1
Cell volume: 383.3
Cell parameters: 10.609; 6.773; 5.879; 90; 114.86; 90;

COD ID: 2101652