Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica, Section B: Structural Science' volume of publication is 52
COD ID | Links | Formula | Space group | Cell parameters | Cell volume | Bibliography |
---|---|---|---|---|---|---|
1000428 | CIF | Ba0.86 Ca2 In6 O12 | P 63/m | 9.888; 9.888; 3.217 90; 90; 120 | 272.4 | Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12 Acta Crystallographica B (39,1983-), 1996, 52, 780-789 |
1000429 | CIF | Ba0.83 Ca2.1 In6 O12 | P 3 | 9.888; 9.888; 3.217 90; 90; 120 | 272.4 | Baldinozzi, G; Goutenoire, F; Hervieu, M; Suard, E; Grebille, D Incommensurate modulated disorder in Ba0.85 Ca2.15 In6 O12 Acta Crystallographica B (39,1983-), 1996, 52, 780-789 |
1006111 | CIF | H4 O9 P2 Ti | P 1 21/c 1 | 8.611; 4.9933; 16.1507 90; 110.206; 90 | 651.7 | 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, 1996, 52, 896-898 |
1006112 | CIF | H4 Hf O9 P2 | P 1 21/c 1 | 8.9955; 5.2439; 16.224 90; 111.234; 90 | 713.4 | 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, 1996, 52, 896-898 |
1008736 | CIF | Fe2 O5 P | I 1 2/a 1 | 7.2956; 7.5605; 7.2512 90; 117.368; 90 | 355.2 | 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, 1996, 52, 428-431 |
1100095 | CIF | H14 Mg6 O16 S | C c m m | 15.895; 3.105; 13.367 90; 90; 90 | 659.7 | 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-), 1996, 52, 266-269 |
2101421 | CIF Paper | C21 H24 Fe O | P 1 21/n 1 | 8.007; 13.002; 66.24 90; 91.96; 90 | 6892 | 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, 1996, 52, 110-121 |
2101422 | CIF Paper | C12 H14 Fe O | I 41 c d | 23.3334; 23.3334; 7.7186 90; 90; 90 | 4202.4 | 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, 1996, 52, 110-121 |
2101423 | CIF Paper | C18 H18 Fe O | P n a a | 9.8589; 15.28; 19.1399 90; 90; 90 | 2883.3 | 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, 1996, 52, 110-121 |
2101424 | CIF Paper | C19 H20 Fe O | P 1 21/c 1 | 10.2443; 10.5811; 14.2487 90; 100.19; 90 | 1520.1 | 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, 1996, 52, 110-121 |
2101425 | CIF Paper | C20 H22 Fe O | C 1 c 1 | 25.387; 7.6825; 17.803 90; 108.217; 90 | 3298.2 | 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, 1996, 52, 110-121 |
2101426 | CIF Paper | C24 H22 Fe O | C 1 2/c 1 | 26.229; 5.889; 24.553 90; 104.114; 90 | 3678 | 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, 1996, 52, 110-121 |
2101427 | CIF Paper | C27 H24 Fe2 O | P -1 | 9.3999; 11.1988; 11.972 117.844; 98.89; 102.362 | 1040.2 | 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, 1996, 52, 110-121 |
2101428 | CIF Paper | C7 H16 Cl N O2 | P 21 21 21 | 9.89; 15.324; 6.302 90; 90; 90 | 955.1 | Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B, 1996, 52, 184-193 |
2101429 | CIF Paper | C6 H15 Br N2 O2 | P n a m | 10.35; 13.028; 6.816 90; 90; 90 | 919.1 | Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B, 1996, 52, 184-193 |
2101430 | CIF Paper | C6 H15 Cl N2 O2 | P n a m | 10.179; 12.781; 6.713 90; 90; 90 | 873.3 | Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B, 1996, 52, 184-193 |
2101431 | CIF Paper | C6 H15 I N2 O2 | P 1 21/c 1 | 5.919; 12.573; 13.643 90; 96.46; 90 | 1008.9 | Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B, 1996, 52, 184-193 |
2101432 | CIF Paper | C7 H16 I N O3 | P n a m | 10.267; 15.305; 6.873 90; 90; 90 | 1080 | Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B, 1996, 52, 184-193 |
2101433 | CIF Paper | C14 H30 I2 N2 O4 | P 1 21 1 | 12.803; 8.165; 9.612 90; 98.09; 90 | 994.8 | Frydenvang, K.; Jensen, B. Conformational analysis of acetylcholine and related choline esters Acta Crystallographica Section B, 1996, 52, 184-193 |
2101434 | CIF Paper | C16 H21 N3 O7 S | P n a 21 | 18.64; 13.088; 7.502 90; 90; 90 | 1830.2 | 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, 1996, 52, 209-214 |
2101435 | CIF Paper | C34 H44 O14.5 | I 4 | 29.145; 29.145; 7.695 90; 90; 90 | 6536.4 | Govindachari, T. R.; Geetha Gopalakrishnan,; Rajan, S. S.; Kabaleeswaran, V.; Lessinger, L. Molecular and crystal structure of azadirachtin-H Acta Crystallographica Section B, 1996, 52, 145-150 |
2101436 | CIF Paper | Bi2 Ca Cu2 O8 Sr2 | C 1 c 1 | 37.754; 5.4109; 41.07 90; 103.58; 90 | 8155 | 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, 1996, 52, 38-53 |
2101437 | CIF Paper | Bi2 Ca Cu2 O8 Sr2 | C c c 2 | 5.4112; 30.873; 5.416 90; 90; 90 | 904.8 | 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, 1996, 52, 38-53 |
2101438 | CIF Paper | H2 Mg O2 | P -3 m 1 | 3.148; 3.148; 4.779 90; 90; 120 | 41.01 | 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, 1996, 52, 82-86 |
2101439 | CIF Paper | H2 Mg O2 | P -3 m 1 | 3.145; 3.145; 4.74 90; 90; 120 | 40.6 | 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, 1996, 52, 82-86 |
2101440 | CIF Paper | C20 H14 Cl2 O4 | P 1 21/n 1 | 7.672; 8.217; 29.042 90; 92.41; 90 | 1829.2 | Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B, 1996, 52, 151-158 |
2101441 | CIF Paper | C22 H14 N2 O4 | P 1 21/n 1 | 7.864; 27.588; 8.76 90; 101.88; 90 | 1859.8 | Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B, 1996, 52, 151-158 |
2101442 | CIF Paper | C26 H19 N2 O4 | P 1 21/c 1 | 15.328; 14.483; 20.421 90; 105.65; 90 | 4365.3 | Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B, 1996, 52, 151-158 |
2101443 | CIF Paper | C24.8 H17.5 N2 O4 | P 1 21/n 1 | 15.174; 14.408; 20.531 90; 109.21; 90 | 4238.7 | Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B, 1996, 52, 151-158 |
2101444 | CIF Paper | C22 H20 O6 | P -1 | 14.9; 15.128; 8.809 105.03; 90.22; 82.79 | 1901.7 | Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B, 1996, 52, 151-158 |
2101445 | CIF Paper | C20 H14 Cl2 O4 | P n a 21 | 14.867; 8.109; 14.944 90; 90; 90 | 1801.6 | Jones, R.; Rettig, S. J.; Scheffer, J. R.; Trotter, J.; Yang, J. Structures and photochemistry of 1,5-disubstituted dibenzobarrelenes Acta Crystallographica Section B, 1996, 52, 151-158 |
2101446 | CIF Paper | C1.92 H1.32 Al0.04 Cl0.64 O24 Si11.96 | P n m a | 20.009; 19.909; 13.366 90; 90; 90 | 5324.5 | 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 <i>p</i>-dichlorobenzene sorbate loading Acta Crystallographica Section B, 1996, 52, 131-139 |
2101447 | CIF Paper | C12 H8 Al0.08 Cl4 O48 Si23.92 | P 21 21 21 | 20.102; 19.797; 13.436 90; 90; 90 | 5347 | 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, 1996, 52, 140-144 |
2101448 | CIF Paper | C16 H16 Cl N O3 | P 1 21/a 1 | 13.922; 6.951; 30.173 90; 93.04; 90 | 2915.8 | 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, 1996, 52, 194-200 |
2101449 | CIF Paper | C18 H20 Cl N O4 | P 1 21 1 | 11.146; 12.343; 13.737 90; 107.92; 90 | 1798.2 | 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, 1996, 52, 194-200 |
2101450 | CIF Paper | C20 H26 Cl N O6 | P 1 c 1 | 12.477; 12.646; 13.4267 90; 102.747; 90 | 2066.3 | 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, 1996, 52, 194-200 |
2101451 | CIF Paper | Al3 F19 Pb5 | I 4 c m | 14.07; 14.07; 7.3 90; 90; 90 | 1445 | 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, 1996, 52, 72-77 |
2101452 | CIF Paper | C42 H92.5 Ca2 Cl4 O46.25 | P 21 21 21 | 15.875; 17.583; 24.27 90; 90; 90 | 6774.5 | 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, 1996, 52, 122-130 |
2101453 | CIF Paper | C6 H5 N O3 | P 21 21 21 | 11.136; 6.649; 8.091 90; 90; 90 | 599.08 | Hamzaoui, F.; Baert, F.; Wojcik, G. Electron-density study of <i>m</i>-nitrophenol in the orthorhombic structure Acta Crystallographica Section B, 1996, 52, 159-164 |
2101454 | CIF Paper | Cu Nd2 O4 | I 4/m m m | 3.9488; 3.9488; 12.1869 90; 90; 90 | 190.03 | 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, 1996, 52, 93-99 |
2101455 | CIF Paper | Cu Nd2 O4 | I 4/m m m | 3.9379; 3.9379; 12.14 90; 90; 90 | 188.256 | 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, 1996, 52, 93-99 |
2101456 | CIF Paper | Pu0.6 U0.4 | R -3 m | 10.68535; 10.68535; 10.68535 89.7364; 89.7364; 89.7364 | 1219.98 | 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, 1996, 52, 32-37 |
2101457 | CIF Paper | Pu0.6 U0.4 | R -3 m | 15.0765; 15.0765; 18.5925 90; 90; 120 | 3659.9 | 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, 1996, 52, 32-37 |
2101458 | CIF Paper | C18 H20 N2 O4 S4 | P -1 | 7.664; 9.874; 14.851 101.71; 90.45; 102.27 | 1073.8 | 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, 1996, 52, 277-286 |
2101459 | CIF Paper | C20.5 H27.5 Li N3.5 O6.5 S3 | P -1 | 7.249; 10.773; 16.433 87.66; 85.22; 77.04 | 1245.9 | 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, 1996, 52, 277-286 |
2101460 | CIF Paper | C16 H29 N2 Na O11 S3 | C 1 2/c 1 | 46.209; 7.005; 16.583 90; 109.45; 90 | 5061 | 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, 1996, 52, 277-286 |
2101461 | CIF Paper | C29 H33 Co N5 O4 P | P 1 21/c 1 | 15.15; 14.846; 12.785 90; 93.26; 90 | 2870.9 | 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, 1996, 52, 303-313 |
2101462 | CIF Paper | C29 H33 Co N5 O4 P | P b c a | 59.684; 14.909; 12.956 90; 90; 90 | 11529 | 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, 1996, 52, 303-313 |
2101463 | CIF Paper | C29 H33 Co N5 O4 P | P 1 21/c 1 | 15.103; 13.483; 14.908 90; 107.12; 90 | 2901 | 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, 1996, 52, 303-313 |
2101464 | CIF Paper | C29 H33 Co N5 O4 P | P 21 21 21 | 14.926; 18.433; 10.642 90; 90; 90 | 2927.9 | 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, 1996, 52, 303-313 |
2101465 | CIF Paper | C4 H9 N O4 | P -1 | 7.483; 8.881; 4.731 91.29; 93.23; 100.24 | 308.7 | 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, 1996, 52, 323-327 |
2101466 | CIF Paper | C4 H9 N O4 | P -1 | 7.437; 8.834; 4.6927 91.32; 93.37; 100.68 | 302.26 | 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, 1996, 52, 323-327 |
2101467 | CIF Paper | C4 H9 N O4 | P -1 | 7.4384; 8.8222; 4.6875 91.48; 93.178; 100.85 | 301.44 | 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, 1996, 52, 323-327 |
2101468 | CIF Paper | C10 H10 V | P 1 21/n 1 | 5.7208; 8.211; 8.831 90; 90.94; 90 | 414.77 | 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, 1996, 52, 314-322 |
2101469 | CIF Paper | C10 H10 V | P 1 21/n 1 | 5.772; 8.111; 8.981 90; 89.95; 90 | 420.4 | 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, 1996, 52, 314-322 |
2101470 | CIF Paper | C10 H10 V | P 1 21/n 1 | 5.772; 8.111; 8.981 90; 89.95; 90 | 420.4 | 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, 1996, 52, 314-322 |
2101471 | CIF Paper | C10 H10 V | P 1 21/n 1 | 5.885; 8.013; 9.251 90; 88.8; 90 | 436.1 | 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, 1996, 52, 314-322 |
2101472 | CIF Paper | C10 H10 V | P 1 21/n 1 | 5.885; 8.013; 9.251 90; 88.8; 90 | 436.1 | 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, 1996, 52, 314-322 |
2101473 | CIF Paper | C10 H10 V | P 1 21/n 1 | 5.934; 8.013; 9.344 90; 91.52; 90 | 444.1 | 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, 1996, 52, 314-322 |
2101474 | CIF Paper | C8 H17 N O2 | P -1 | 5.753; 7.498; 10.649 105.71; 93.64; 97.63 | 435.9 | 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, 1996, 52, 357-368 |
2101475 | CIF Paper | C8 H6 D11 N O2 | P -1 | 5.75; 7.486; 10.622 105.81; 93.66; 97.66 | 433.6 | 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, 1996, 52, 357-368 |
2101476 | CIF Paper | B4 O7 Pb | P 21 n m | 4.251; 4.463; 10.86 90; 90; 90 | 206.04 | Corker, D. L.; Glazer, A. M. Structure and optical non-linearity of PbO.2B~2~O~3~ Acta Crystallographica Section B, 1996, 52, 260-265 |
2101477 | CIF Paper | Al Fe O3 | P n a 21 | 4.9839; 8.5544; 9.2413 90; 90; 90 | 393.996 | 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, 1996, 52, 217-222 |
2101478 | CIF Paper | Al Fe O3 | P n a 21 | 4.9792; 8.5466; 9.2345 90; 90; 90 | 392.976 | 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, 1996, 52, 217-222 |
2101479 | CIF Paper | C7 H3 Cl N2 O2 | P b c a | 9.469; 14.752; 10.859 90; 90; 90 | 1516.9 | Britton, D.; Cramer, C. J. Structures of four <i>o</i>-nitrobenzonitriles Acta Crystallographica Section B, 1996, 52, 344-351 |
2101480 | CIF Paper | C8 H6 N2 O2 | P b c a | 9.969; 14.728; 10.179 90; 90; 90 | 1494.5 | Britton, D.; Cramer, C. J. Structures of four <i>o</i>-nitrobenzonitriles Acta Crystallographica Section B, 1996, 52, 344-351 |
2101481 | CIF Paper | C7 H3 Cl N2 O2 | P 1 21/n 1 | 7.889; 15.064; 7.311 90; 118.22; 90 | 765.6 | Britton, D.; Cramer, C. J. Structures of four <i>o</i>-nitrobenzonitriles Acta Crystallographica Section B, 1996, 52, 344-351 |
2101482 | CIF Paper | C7 H3 N3 O4 | P b c n | 13.081; 9.027; 6.545 90; 90; 90 | 772.8 | Britton, D.; Cramer, C. J. Structures of four <i>o</i>-nitrobenzonitriles Acta Crystallographica Section B, 1996, 52, 344-351 |
2101483 | CIF Paper | C18 H8 N4 Se4 | P 1 21/c 1 | 12.5048; 3.8724; 18.5041 90; 104.131; 90 | 868.92 | 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, 1996, 52, 384-387 |
2101484 | CIF Paper | Ca3 Fe2 O12 Si3 | I a -3 d | 12.0643; 12.0643; 12.0643 90; 90; 90 | 1756 | Pilati, T.; Demartin, F.; Gramaccioli, C. M. Atomic displacement parameters for garnets: a lattice-dynamical evaluation Acta Crystallographica Section B, 1996, 52, 239-250 |
2101485 | CIF Paper | C52 H49 F6 P5 Pt2 S | P 1 2/n 1 | 13.742; 11.058; 16.7504 90; 96.644; 90 | 2528.3 | 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, 1996, 52, 270-276 |
2101486 | CIF Paper | C52 H49 F6 P5 Pd Pt S | P 1 2/n 1 | 13.724; 11.097; 16.74 90; 96.77; 90 | 2531.6 | 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, 1996, 52, 270-276 |
2101487 | CIF Paper | C52 H49 F6 P5 Pt2 S | P 1 21/n 1 | 13.689; 21.857; 16.662 90; 95.92; 90 | 4959 | 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, 1996, 52, 270-276 |
2101488 | CIF Paper | C6 H8 N6 O8 | P 1 21/c 1 | 11.559; 8.018; 11.697 90; 98.01; 90 | 1073.5 | 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, 1996, 52, 352-356 |
2101489 | CIF Paper | C6 H24 Cl9 N3 Sb2 | P 1 c 1 | 9.47; 9.034; 14.08 90; 95.81; 90 | 1198.4 | 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, 1996, 52, 287-295 |
2101490 | CIF Paper | C6 H24 Cl9 N3 Sb2 | P 1 21/c 1 | 9.686; 9.037; 14.066 90; 95.57; 90 | 1225.4 | 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, 1996, 52, 287-295 |
2101491 | CIF Paper | C16 H22 N4 O6 | P -1 | 8.534; 9.352; 12.371 92.59; 96.16; 116.05 | 877.2 | Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N. The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization Acta Crystallographica Section B, 1996, 52, 376-383 |
2101492 | CIF Paper | C16 H22 N4 O6 | P -1 | 7.9; 10.061; 12.048 71.37; 78.13; 72.17 | 857.6 | Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N. The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization Acta Crystallographica Section B, 1996, 52, 376-383 |
2101493 | CIF Paper | C20 H22 N4 O6 | P -1 | 8.558; 11.077; 11.437 108.57; 94.37; 99.77 | 1002.9 | Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N. The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization Acta Crystallographica Section B, 1996, 52, 376-383 |
2101494 | CIF Paper | C20 H22 N4 O6 | P 1 21/n 1 | 10.357; 14.578; 12.676 90; 97.99; 90 | 1895.3 | Suresh, C. G.; Gangamani, B. P.; Ganesh, K. N. The rare <i>trans</i>-<i>syn</i> thymine photodimers: structures of polyoxyethylene-linked bisthymines and the derived <i>trans</i>-<i>syn</i> thymine photodimers. Comparison of the stereochemistry before and after photodimerization Acta Crystallographica Section B, 1996, 52, 376-383 |
2101495 | CIF Paper | C21 H23 N3 O2 | P b c a | 34.845; 10.013; 10.918 90; 90; 90 | 3809 | André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P. The crystal packing modes of three sterically overcrowded imidazole derivatives Acta Crystallographica Section B, 1996, 52, 369-375 |
2101496 | CIF Paper | C19 H21 N3 O2 | P 21 21 21 | 8.321; 12.411; 17.008 90; 90; 90 | 1756.4 | André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P. The crystal packing modes of three sterically overcrowded imidazole derivatives Acta Crystallographica Section B, 1996, 52, 369-375 |
2101497 | CIF Paper | C19 H21 N3 | P 1 21/a 1 | 16.607; 11.427; 9.668 90; 114.38; 90 | 1671.1 | André, C.; Luger, P.; Lotz, S.; Fehlhammer, W.-P. The crystal packing modes of three sterically overcrowded imidazole derivatives Acta Crystallographica Section B, 1996, 52, 369-375 |
2101498 | CIF Paper | C18 H36 Cl2 N2 Pd2 S4 | P 1 21/a 1 | 16.393; 9.235; 11.176 90; 128.01; 90 | 1333 | 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, 1996, 52, 328-331 |
2101499 | CIF Paper | C | F d -3 m | 3.56658; 3.56658; 3.56658 90; 90; 90 | 45.3687 | 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, 1996, 52, 232-238 |
2101500 | CIF Paper | C4 H16 N Na O10 | P 21 21 2 | 12.206; 14.451; 6.25 90; 90; 90 | 1102.4 | 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, 1996, 52, 296-302 |
2101501 | CIF Paper | C4 H15.76 K0.06 N0.94 Na O10 | P 21 21 2 | 12.172; 14.421; 6.239 90; 90; 90 | 1095.2 | 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, 1996, 52, 296-302 |
2101502 | CIF Paper | C4 H15.6 K0.1 N0.9 Na O10 | P 21 21 2 | 12.165; 14.42; 6.239 90; 90; 90 | 1094 | 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, 1996, 52, 296-302 |
2101504 | CIF Paper | C10 H8 Cl N O2 | P 1 21/c 1 | 7.313; 17.156; 7.64 90; 92.71; 90 | 957.5 | 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, 1996, 52, 332-343 |
2101505 | CIF Paper | C10 H8 Cl N O2 | P 1 21/c 1 | 19.141; 5.154; 10.323 90; 116.23; 90 | 913.5 | 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, 1996, 52, 332-343 |
2101506 | CIF Paper | C10 H8 Cl N O2 | P b c a | 61.08; 12.115; 7.674 90; 90; 90 | 5679 | 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, 1996, 52, 332-343 |
2101507 | CIF Paper | C10 H8 Cl N O2 | P 1 21/c 1 | 20.244; 4.829; 10.728 90; 116.3; 90 | 940.2 | 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, 1996, 52, 332-343 |
2101508 | CIF Paper | C10 H8 Br N O2 | P -1 | 5.645; 9.713; 10.019 116.02; 92.67; 100.12 | 481.2 | 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, 1996, 52, 332-343 |
2101509 | CIF Paper | C4 H8 N O10 Ti | P 64 2 2 | 8.939; 8.939; 10.893 90; 90; 120 | 753.8 | 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, 1996, 52, 458-464 |
2101510 | CIF Paper | C4 H8 N O10 Ti | P 64 2 2 | 8.931; 8.931; 10.893 90; 90; 120 | 752.5 | 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, 1996, 52, 458-464 |
2101511 | CIF Paper | C4 H8 N O10 Ti | P 64 2 2 | 8.947; 8.947; 10.898 90; 90; 120 | 755.5 | 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, 1996, 52, 458-464 |
2101512 | CIF Paper | Ho2 O3 | I a -3 | 10.605; 10.605; 10.605 90; 90; 90 | 1192.7 | 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, 1996, 52, 414-422 |
2101513 | CIF Paper | C29 H29 Ta | P 3 1 c | 12.681; 12.681; 16.124 90; 90; 120 | 2245.5 | Schaefer, W. P.; Marsh, R. E.; Rodriguez, G.; Bazan, G. C. A tribenzylidenemethane‒tantalum compound: some experiences with `inversion twinning' Acta Crystallographica Section B, 1996, 52, 465-470 |
2101514 | CIF Paper | Bi2 Nb2 O9 Pb | A 21 a m | 5.503; 5.495; 25.531 90; 90; 90 | 772 | 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, 1996, 52, 432-439 |
2101515 | CIF Paper | Bi2 Nb2 O9 Pb | A 21 a m | 5.504; 5.487; 25.511 90; 90; 90 | 770.4 | 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, 1996, 52, 432-439 |
2101516 | CIF Paper | Co Na O4 P | P n m a | 8.871; 6.78; 5.023 90; 90; 90 | 302.11 | Hammond, R.; Barbier, J. Structural chemistry of NaCoPO~4~ Acta Crystallographica Section B, 1996, 52, 440-449 |
2101517 | CIF Paper | Co Na O4 P | P 65 | 10.166; 10.166; 23.881 90; 90; 120 | 2137.4 | Hammond, R.; Barbier, J. Structural chemistry of NaCoPO~4~ Acta Crystallographica Section B, 1996, 52, 440-449 |
2101518 | CIF Paper | C8 H4 N4 O6 | P 1 21/c 1 | 8.4668; 8.5533; 12.4657 90; 90.341; 90 | 902.74 | 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, 1996, 52, 487-499 |
2101519 | CIF Paper | C8 H4 N4 O6 | P 21 21 21 | 6.9774; 13.083; 20.401 90; 90; 90 | 1862.3 | 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, 1996, 52, 487-499 |
2101520 | CIF Paper | C8 H7 N3 O5 | P 1 21/n 1 | 7.4744; 11.9265; 10.491 90; 97.513; 90 | 927.18 | 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, 1996, 52, 487-499 |
2101521 | CIF Paper | C8 H4 Cl2 N2 O2 | P 1 21/n 1 | 7.2066; 8.4502; 14.4709 90; 99.707; 90 | 868.62 | 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, 1996, 52, 487-499 |
2101522 | CIF Paper | C11 H11 Cl2 N3 O3 | P -1 | 6.1501; 8.3787; 13.7356 107.407; 99.304; 95.032 | 659.5 | 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, 1996, 52, 487-499 |
2101523 | CIF Paper | C8 H24 Co Li N8 O12 | P -3 m 1 | 8.856; 8.856; 7.017 90; 90; 120 | 476.6 | 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, 1996, 52, 471-478 |
2101524 | CIF Paper | C8 H24 Co Li N8 O12 | P -3 m 1 | 8.856; 8.856; 7.017 90; 90; 120 | 476.6 | 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, 1996, 52, 471-478 |
2101526 | CIF Paper | C4 H8 O3 S | P 21 21 21 | 7.204; 13.67; 6.041 90; 90; 90 | 594.9 | 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, 1996, 52, 505-508 |
2101527 | CIF Paper | C4 H8 O3 S | P 21 21 21 | 18.238; 10.265; 6.616 90; 90; 90 | 1238.6 | 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, 1996, 52, 505-508 |
2101528 | CIF Paper | C4 H8 O3 S | P 1 21/n 1 | 6.06; 11.185; 9.186 90; 101.32; 90 | 610.5 | 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, 1996, 52, 505-508 |
2101529 | CIF Paper | C21 H25 Cl N2 O4 | P 21 21 21 | 7.81; 15.007; 18.326 90; 90; 90 | 2147.9 | 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, 1996, 52, 500-504 |
2101530 | CIF Paper | C27 H50 O6 | P 21 21 21 | 6.234; 15.628; 30.749 90; 90; 90 | 2995.7 | Suwińska, K.; Kutner, A. Crystal and molecular structure of 1,25-dihydroxycholecalciferol Acta Crystallographica Section B, 1996, 52, 550-554 |
2101531 | CIF Paper | C23 H29 Br N3 O3.5 | C 1 2/c 1 | 21.916; 15.207; 14.052 90; 101.56; 90 | 4588.2 | 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, 1996, 52, 509-518 |
2101532 | CIF Paper | C8 H11 N5 | P 1 21/c 1 | 9.781; 35.04; 11 90; 97.72; 90 | 3735.8 | 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, 1996, 52, 509-518 |
2101533 | CIF Paper | C15 H17 Cl2 N O2 | P -1 | 8.48; 9.84; 10.158 90.04; 111.77; 105.07 | 755.6 | 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, 1996, 52, 509-518 |
2101534 | CIF Paper | C18 H21 Cl N2 | P 1 21/a 1 | 9.014; 14.917; 12.412 90; 108.84; 90 | 1579.5 | 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, 1996, 52, 509-518 |
2101535 | CIF Paper | Fe3 O4 | F d -3 m {origin @ centre (-3m)} | 8.3922; 8.3922; 8.3922 90; 90; 90 | 591.05 | 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, 1996, 52, 450-457 |
2101536 | CIF Paper | C6 H19 N4 O7 P | P 1 21 1 | 7.333; 7.93; 10.81 90; 98; 90 | 622.5 | Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W. Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>‒<i>X</i> and <i>X</i>‒(<i>X</i> + <i>N</i>) refinements Acta Crystallographica Section B, 1996, 52, 519-534 |
2101537 | CIF Paper | C6 H19 N4 O7 P | P 1 21 1 | 7.319; 7.912; 10.779 90; 98.05; 90 | 618 | Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W. Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>‒<i>X</i> and <i>X</i>‒(<i>X</i> + <i>N</i>) refinements Acta Crystallographica Section B, 1996, 52, 519-534 |
2101538 | CIF Paper | C6 H19 N4 O7 P | P 1 21 1 | 7.319; 7.912; 10.779 90; 98.05; 90 | 618 | Espinosa, E.; Lecomte, C.; Molins, E.; Veintemillas, S.; Cousson, A.; Paulus, W. Electron density study of a new non-linear optical material: <small>L</small>-arginine phosphate monohydrate (LAP). Comparison between <i>X</i>‒<i>X</i> and <i>X</i>‒(<i>X</i> + <i>N</i>) refinements Acta Crystallographica Section B, 1996, 52, 519-534 |
2101539 | CIF Paper | H I O Sr | P n m a | 7.7294; 4.24697; 10.7374 90; 90; 90 | 352.472 | Peter, S.; Cockcroft, J. K.; Roisnel, T.; Lutz, H. D. Distance limits of OH···<i>Y</i> hydrogen bonds (<i>Y</i> = 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, 1996, 52, 423-427 |
2101540 | CIF Paper | C7 H8 K2 O7 S2 | P 1 21/c 1 | 10.674; 10.79; 10.543 90; 99.97; 90 | 1195.9 | Nagel, N.; Eller, P.; Bock, H. Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents? Acta Crystallographica Section B, 1996, 52, 562-568 |
2101541 | CIF Paper | C10 H17 K N O6.5 S2 | P 1 21/m 1 | 10.891; 6.657; 21.212 90; 101.64; 90 | 1506.3 | Nagel, N.; Eller, P.; Bock, H. Benzene-1,2-disulfonate dianion: another compound with meshed cogwheel substituents? Acta Crystallographica Section B, 1996, 52, 562-568 |
2101542 | CIF Paper | C11 H14 N6 | P -1 | 10.717; 7.762; 7.418 71.078; 82.838; 78.941 | 571.585 | 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, 1996, 52, 555-561 |
2101543 | CIF Paper | C11 H14 N6 | P 1 21/c 1 | 8.09; 7.929; 17.518 90; 90; 90 | 1123.7 | 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, 1996, 52, 555-561 |
2101544 | CIF Paper | C18 H20 Cl2 N2 O4 | P n m a | 18.086; 6.983; 14.363 90; 90; 90 | 1814 | 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, 1996, 52, 691-696 |
2101545 | CIF Paper | Ba Cu O5 Y2 | P n m a | 12.1793; 5.6591; 7.1323 90; 90; 90 | 491.59 | 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, 1996, 52, 569-575 |
2101546 | CIF Paper | C28 H51 N O5 | P 1 21 1 | 13.226; 7.871; 14.028 90; 104.71; 90 | 1412.5 | Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K. Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol Acta Crystallographica Section B, 1996, 52, 728-733 |
2101547 | CIF Paper | C28 H51 N O5 | P 1 21 1 | 13.286; 7.853; 14.075 90; 105.12; 90 | 1417.7 | Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K. Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol Acta Crystallographica Section B, 1996, 52, 728-733 |
2101548 | CIF Paper | C28 H51 N O5 | P 1 21 1 | 13.251; 7.869; 14.045 90; 104.82; 90 | 1415.8 | Briozzo, P.; Kondo, T.; Sada, K.; Miyata, M.; Miki, K. Structures of three inclusion compounds of cholanamide with either (<i>S</i>)-enantiomer, (<i>R</i>)-enantiomer or an optically resolved mixture of butan-2-ol Acta Crystallographica Section B, 1996, 52, 728-733 |
2101549 | CIF Paper | Cl La O | P 4/n m m :2 | 4.1198; 4.1198; 6.8831 90; 90; 90 | 116.83 | 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, 1996, 52, 576-579 |
2101550 | CIF Paper | C11 H12 N2 O2 | P 1 21/c 1 | 11.376; 6.4421; 14.419 90; 90.01; 90 | 1056.7 | Halcrow, M. A.; Powell, H. R.; Duer, M. J. Tautomerism in 3{5}-(dimethoxyphenyl)pyrazoles Acta Crystallographica Section B, 1996, 52, 746-752 |
2101551 | CIF Paper | C11 H13 N2 O2.5 | C 1 2/c 1 | 30.524; 8.9917; 8.1542 90; 101.057; 90 | 2196.5 | Halcrow, M. A.; Powell, H. R.; Duer, M. J. Tautomerism in 3{5}-(dimethoxyphenyl)pyrazoles Acta Crystallographica Section B, 1996, 52, 746-752 |
2101552 | CIF Paper | C4 H4 F8 N3 O2 P3 | P -1 | 12.392; 16.569; 19.257 110.22; 90.02; 97.1 | 3677.8 | 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, 1996, 52, 643-650 |
2101553 | CIF HKL Paper | C16 H12 Cl F3 N2 O2 S | P 1 21/c 1 | 6.0144; 22.4675; 12.0544 90; 91.224; 90 | 1628.52 | 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, 1996, 52, 713-719 |
2101554 | CIF HKL Paper | C16 H15 Cl N2 O2 S | P 1 21/c 1 | 9.3191; 18.4382; 9.206 90; 104.004; 90 | 1534.8 | 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, 1996, 52, 713-719 |
2101555 | CIF Paper | C12 H5 F3 N2 O2 S | P -1 | 6.9087; 11.9009; 14.3626 85.715; 78.994; 82.86 | 1148.6 | 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, 1996, 52, 713-719 |
2101556 | CIF Paper | Al3 Cl Na4 O12 Si3 | P -4 3 n | 8.882; 8.882; 8.882 90; 90; 90 | 700.7 | 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, 1996, 52, 616-627 |
2101557 | CIF Paper | C9 H10 Cl2 N2 O | P 1 21/a 1 | 9.191; 14.632; 7.738 90; 101.32; 90 | 1020.38 | 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, 1996, 52, 662-667 |
2101558 | CIF Paper | C8 H10 O2 | P 1 21/c 1 | 6.386; 11.264; 10.105 90; 103.78; 90 | 705.95 | 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, 1996, 52, 668-676 |
2101559 | CIF Paper | O6 Sb2 W | F -1 | 11.132; 9.896; 18.482 90.2; 96.87; 90.21 | 2021.4 | 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, 1996, 52, 610-615 |
2101560 | CIF Paper | Bi2 Rh | P -1 | 6.743; 7.03; 7.067 104.76; 100.73; 105.79 | 299.74 | Ruck, M. Kristallstruktur und zwillingsbildung der intermetallischen phase β-Bi~2~Rh Acta Crystallographica Section B, 1996, 52, 605-609 |
2101561 | CIF Paper | C10 H8 F N O2 | C 1 2/c 1 | 17.294; 13.875; 7.442 90; 103.88; 90 | 1733.6 | 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, 1996, 52, 651-661 |
2101562 | CIF Paper | C10 H8 F N O2 | P 1 21/c 1 | 19.284; 5.083; 9.939 90; 117.28; 90 | 865.9 | 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, 1996, 52, 651-661 |
2101563 | CIF Paper | C10 H8 F N O2 | P 1 21/a 1 | 9.36; 5.167; 17.751 90; 93.75; 90 | 856.7 | 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, 1996, 52, 651-661 |
2101564 | CIF Paper | C10 H8 F N O2 | P 1 21/a 1 | 9.935; 5.0059; 17.61 90; 102.13; 90 | 856.3 | 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, 1996, 52, 651-661 |
2101565 | CIF Paper | C12 H12 Br2 O6 | P 1 21/n 1 | 9.622; 7.853; 19.103 90; 93.11; 90 | 1441.3 | 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, 1996, 52, 697-706 |
2101566 | CIF Paper | C12 H12 Br2 O6 | P 1 21/c 1 | 8.267; 25.037; 7.526 90; 113.44; 90 | 1429.2 | 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, 1996, 52, 697-706 |
2101567 | CIF Paper | C16 H24 Br2 O8 | P -1 | 8.002; 8.232; 8.966 116.82; 96.1; 102.29 | 500.9 | 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, 1996, 52, 697-706 |
2101568 | CIF Paper | Ce2 Ga15 Pt6 | P 63/m m c | 4.3267; 4.3267; 16.5369 90; 90; 120 | 268.1 | 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, 1996, 52, 580-585 |
2101569 | CIF Paper | Ce2 Ga15 Pt6 | P 63/m m c | 4.335; 4.335; 16.564 90; 90; 120 | 269.6 | 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, 1996, 52, 580-585 |
2101570 | CIF Paper | Ce2 Ga15 Pt6 | P 63/m m c | 4.3259; 4.3259; 16.522 90; 90; 120 | 267.76 | 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, 1996, 52, 580-585 |
2101571 | CIF Paper | C12 H15 N O4 | C 1 2/c 1 | 10.03; 9.84; 21.625 90; 90.87; 90 | 2134 | 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, 1996, 52, 838-841 |
2101572 | CIF Paper | C H8 F6 N4 Zr | P b a 2 | 10.089; 18.349; 7.56 90; 90; 90 | 1399.5 | 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, 1996, 52, 806-809 |
2101573 | CIF Paper | Ba0.6 Bi K0.4 O2.3 | P b a 2 | 6.127; 12.016; 4.378 90; 90; 90 | 322.317 | 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, 1996, 52, 806-809 |
2101574 | CIF Paper | Cl10 Mo N O P2 | P b a 2 | 15.984; 11.412; 4.151 90; 90; 90 | 757.2 | 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, 1996, 52, 806-809 |
2101575 | CIF Paper | C4 Br0.3 D6 K2 N4 O3 Pt | P 4 m m | 9.897; 9.897; 5.784 90; 90; 90 | 566.5 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101576 | CIF Paper | Ba Cu Fe O5 Y | P 4 m m | 3.865; 3.865; 7.6425 90; 90; 90 | 114.17 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101577 | CIF Paper | Ba2 O8 Si2 Ti | P 4 b m | 8.527; 8.527; 5.2104 90; 90; 90 | 378.85 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101578 | CIF Paper | N2 S4 | P 42 n m | 11.146; 11.146; 3.773 90; 90; 90 | 468.7 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101579 | CIF Paper | As2 Ba Ge2 | P 42 m c | 7.618; 7.618; 8.5 90; 90; 90 | 493.3 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101580 | CIF Paper | Pu S2 | P 4 m m | 3.943; 3.943; 7.962 90; 90; 90 | 123.8 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101581 | CIF Paper | Cl3 Cs Eu | P 4 m m | 5.588; 5.588; 5.619 90; 90; 90 | 175.5 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101582 | CIF Paper | Nd0.33 O3 Ta | P 4 m m | 7.822; 7.822; 3.883 90; 90; 90 | 237.58 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101583 | CIF Paper | Mn0.04 Ni0.04 O3 Pb Ti0.04 Zr0.44 | P 4 m m | 4.0382; 4.0382; 4.1057 90; 90; 90 | 66.952 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101584 | CIF Paper | Ba Cl Cu K O7 V2 | P 4 b m | 8.8581; 8.8581; 5.4711 90; 90; 90 | 429.29 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101585 | CIF Paper | Ba6 Co Nb9 O30 | P 4 b m | 12.589; 12.589; 4.009 90; 90; 90 | 635.358 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101586 | CIF Paper | K2 Nb2 O14 Si4 | P 4 b m | 8.7404; 8.7404; 8.136 90; 90; 90 | 621.55 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101587 | CIF Paper | Cr N Nb | P 4 b m | 4.283; 4.283; 7.36 90; 90; 90 | 135.012 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101588 | CIF Paper | K2 O7 Zn6 | P 42 n m | 10.912; 10.912; 3.325 90; 90; 90 | 395.914 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101589 | CIF Paper | O6 Se2 V | P 4 c c | 11.22; 11.22; 7.86 90; 90; 90 | 989 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101590 | CIF Paper | H3 Na O3 Zn | P 42 b c | 10.839; 10.839; 5.308 90; 90; 90 | 623.6 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101591 | CIF Paper | Mn O6 Sb Sr2 | I 4 m m | 5.526; 5.526; 8.039 90; 90; 90 | 245.48 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101592 | CIF Paper | Cu K Na2 O2 | I 4 m m | 4.327; 4.327; 10.891 90; 90; 90 | 203.9 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101593 | CIF Paper | Cl6 H3 In K3 O1.5 | I 4 m m | 16.563; 16.563; 18.563 90; 90; 90 | 5092 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101594 | CIF Paper | K1.14 Mg0.57 O4 Si1.43 | I 4 m m | 8.957; 8.957; 5.281 90; 90; 90 | 423.68 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101595 | CIF Paper | Al F5 H4 Hg2 O4 | I 4 c m | 9.353; 9.353; 7.241 90; 90; 90 | 633.4 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101596 | CIF Paper | F18 Nb3 O Rb5 | I 4 c m | 15.525; 15.525; 7.794 90; 90; 90 | 1878.6 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101597 | CIF Paper | Ag S2 Yb | I 41 m d | 5.356; 5.356; 11.803 90; 90; 90 | 338.59 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101598 | CIF Paper | Ni2 O8 Sr V2 | I 41 c d | 12.1617; 12.1617; 8.3247 90; 90; 90 | 1231.3 | Abrahams, S. C. New ferroelectric inorganic materials predicted in point group 4<i>mm</i> Acta Crystallographica Section B, 1996, 52, 790-805 |
2101599 | CIF Paper | C D3 F | P 1 21/n 1 | 6.4373; 7.5023; 3.9598 90; 101.842; 90 | 187.167 | 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, 1996, 52, 892-895 |
2101600 | CIF Paper | H4 O9 P2 Ti | P 1 21/c 1 | 8.611; 4.9933; 16.1507 90; 110.206; 90 | 651.7 | 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, 1996, 52, 896-898 |
2101601 | CIF Paper | H4 Hf O9 P2 | P 1 21/c 1 | 8.9955; 5.2439; 16.224 90; 111.234; 90 | 713.37 | 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, 1996, 52, 896-898 |
2101602 | CIF Paper | C12 H8 N4 Pt | C m c m | 18.142; 9.361; 6.659 90; 90; 90 | 1130.9 | 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, 1996, 52, 817-822 |
2101603 | CIF Paper | C21 H46 N3 O7 P | P 21 21 21 | 16.7042; 24.4881; 6.3891 90; 90; 90 | 2613.49 | Souhassou, M.; Schaber, P. M.; Blessing, R. H. Structure of tris(cyclohexylammonium) phosphoenolpyruvate monohydrate and crystal chemistry of phosphoenolpyruvates Acta Crystallographica Section B, 1996, 52, 865-875 |
2101604 | CIF Paper | C8 Cl4 D32 I2 N8 O16 Pt2 | C 1 2/c 1 | 16.65; 5.76; 14.751 90; 99.19; 90 | 1396.5 | 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, 1996, 52, 854-864 |
2101605 | CIF Paper | Ba0.85 Ca2.15 In6 O12 | P 63/m | 9.888; 9.888; 3.217 90; 90; 120 | 272.395 | 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, 1996, 52, 780-789 |
2101606 | CIF Paper | C5 Ca Cl2 D15 N O4 | P n m a | 10.95; 10.15; 10.82 90; 90; 90 | 1203 | 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, 1996, 52, 810-816 |
2101607 | CIF Paper | C5 Ca Cl2 D15 N O4 | P n 21 a | 10.905; 10; 10.8 90; 90; 90 | 1177.7 | 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, 1996, 52, 810-816 |
2101608 | CIF Paper | C8 H13 N3 O5 | P 1 21/c 1 | 5.248; 26.485; 7.248 90; 95.47; 90 | 1002.8 | 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, 1996, 52, 876-881 |
2101609 | CIF Paper | C8 H13 N3 O5 | P 21 21 21 | 5.084; 11.012; 17.899 90; 90; 90 | 1002.1 | 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, 1996, 52, 876-881 |
2101610 | CIF Paper | K Li O5 Si2 | P 1 21 1 | 5.9803; 4.7996; 8.1599 90; 93.477; 90 | 233.78 | 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, 1996, 52, 770-776 |
2101611 | CIF Paper | C16 H14 F3 N O3 S | P 1 21/n 1 | 6.816; 23.687; 9.966 90; 106.63; 90 | 1541.7 | 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, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate Acta Crystallographica Section B, 1996, 52, 823-837 |
2101612 | CIF Paper | C32 H36 K N5 O12 | P -1 | 9.189; 11.786; 15.805 83.39; 88.29; 75.78 | 1648.2 | 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, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate Acta Crystallographica Section B, 1996, 52, 823-837 |
2101613 | CIF Paper | C41 H46 Cl2 I N4 Na O4 | I 2 2 2 | 10.453; 13.417; 28.526 90; 90; 90 | 4000.7 | 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, [<i>N</i>-(6-phenanthridinylmethyl)-aza-18-crown-6-κ^5^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''',<i>O</i>''''](picrate-κ^2^-<i>O</i>,<i>O</i>')potassium, and [<i>N</i>,<i>N</i>'-bis(6-phenanthridinyl-κ<i>N</i>-methyl)-7,16-diaza-18-crown-6-κ^4^<i>O</i>,<i>O</i>',<i>O</i>'',<i>O</i>''']sodium iodide dichloromethane solvate Acta Crystallographica Section B, 1996, 52, 823-837 |
2101614 | CIF Paper | C10 H9 N3 | P 1 21/c 1 | 8.958; 8.161; 24.104 90; 98.98; 90 | 1740.6 | Schödel, H.; Näther, C.; Bock, H.; Butenschön, F. Trimorphism of 2,2'-dipyridylamine: structures, phase transitions and thermodynamic stabilities Acta Crystallographica Section B, 1996, 52, 842-853 |
2101615 | CIF Paper | C10 H9 N3 | P 1 21/c 1 | 9.001; 8.262; 24.234 90; 98.88; 90 | 1780.6 | Schödel, H.; Näther, C.; Bock, H.; Butenschön, F. Trimorphism of 2,2'-dipyridylamine: structures, phase transitions and thermodynamic stabilities Acta Crystallographica Section B, 1996, 52, 842-853 |
2101616 | CIF Paper | C6 H14 N4 O6 | P 1 21/c 1 | 5.637; 8.243; 12.258 90; 96.8; 90 | 565.6 | Videnova-Adrabińska, V. Symmetry constraints, molecular recognition and crystal engineering. Comparative structural studies of urea‒butanedioic and urea‒<i>E</i>-butanedioic acid (2:1) cocrystals Acta Crystallographica Section B, 1996, 52, 1048-1056 |
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