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 |
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