Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica, Section B: Structural Science' volume of publication is 50
| COD ID: 2101074 | |
| CIF file | Formula: - C4 H16 N Na O10 - Comments: Brożek, Z.; Stadnicka, K. Structure of sodium ammonium (+)-tartrate tetrahydrate at 200, 151 and 120 K Acta Crystallographica Section B 50(1) (1994) 59-68 Space group: P 21 21 2 Cell volume: 1075.3 Cell parameters: 12.112; 14.31; 6.2043; 90; 90; 90; |
| COD ID: 2101075 | |
| CIF file | Formula: - C4 H16 N Na O10 - Comments: Brożek, Z.; Stadnicka, K. Structure of sodium ammonium (+)-tartrate tetrahydrate at 200, 151 and 120 K Acta Crystallographica Section B 50(1) (1994) 59-68 Space group: P 21 21 2 Cell volume: 1069 Cell parameters: 12.088; 14.28; 6.192; 90; 90; 90; |
| COD ID: 2101076 | |
| CIF file | Formula: - C4 H16 N Na O10 - Comments: Brożek, Z.; Stadnicka, K. Structure of sodium ammonium (+)-tartrate tetrahydrate at 200, 151 and 120 K Acta Crystallographica Section B 50(1) (1994) 59-68 Space group: P 21 21 2 Cell volume: 1070 Cell parameters: 12.065; 14.346; 6.182; 90; 90; 90; |
| COD ID: 2101077 | |
| CIF file | Formula: - Cr2 K3 Na O8 - Comments: Fábry, J.; Breczewski, T.; Madariaga, G. Structure determination of the ferroelastic phase of K~3~Na(CrO~4~)~2~ at 200 and 230 K and the redetermination of its parent phase at 290 K Acta Crystallographica Section B 50(1) (1994) 13-22 Space group: P -3 m 1 Cell volume: 223.44 Cell parameters: 5.857; 5.857; 7.521; 90; 90; 120; |
| COD ID: 2101078 | |
| CIF file | Formula: - Cr2 K3 Na O8 - Comments: Fábry, J.; Breczewski, T.; Madariaga, G. Structure determination of the ferroelastic phase of K~3~Na(CrO~4~)~2~ at 200 and 230 K and the redetermination of its parent phase at 290 K Acta Crystallographica Section B 50(1) (1994) 13-22 Space group: C 1 2/c 1 Cell volume: 889.1 Cell parameters: 10.128; 5.8437; 15.022; 90; 89.97; 90; |
| COD ID: 2101079 | |
| CIF file | Formula: - Cr2 K3 Na O8 - Comments: Fábry, J.; Breczewski, T.; Madariaga, G. Structure determination of the ferroelastic phase of K~3~Na(CrO~4~)~2~ at 200 and 230 K and the redetermination of its parent phase at 290 K Acta Crystallographica Section B 50(1) (1994) 13-22 Space group: C 1 2/c 1 Cell volume: 888.1 Cell parameters: 10.117; 5.843; 15.024; 90; 89.967; 90; |
| COD ID: 2101080 | |
| CIF file | Formula: - Cr2 K3 Na O8 - Comments: Fábry, J.; Breczewski, T.; Madariaga, G. Structure determination of the ferroelastic phase of K~3~Na(CrO~4~)~2~ at 200 and 230 K and the redetermination of its parent phase at 290 K Acta Crystallographica Section B 50(1) (1994) 13-22 Space group: C 1 2/c 1 Cell volume: 888.1 Cell parameters: 10.117; 5.843; 15.024; 90; 89.967; 90; |
| COD ID: 2101081 | |
| CIF file | Formula: - C23 H16 O - Comments: Mori, Y.; Maeda, K. Structures and photochemical reactions of 1-(9-anthryl)-2-aroylethylenes: competing <i>cis</i>‒<i>trans</i> isomerization and skeletal rearrangement Acta Crystallographica Section B 50(1) (1994) 106-112 Space group: P 21 21 21 Cell volume: 1609.6 Cell parameters: 14.992; 19.124; 5.614; 90; 90; 90; |
| COD ID: 2101082 | |
| CIF file | Formula: - C24 H16 O - Comments: Mori, Y.; Maeda, K. Structures and photochemical reactions of 1-(9-anthryl)-2-aroylethylenes: competing <i>cis</i>‒<i>trans</i> isomerization and skeletal rearrangement Acta Crystallographica Section B 50(1) (1994) 106-112 Space group: P 1 21/a 1 Cell volume: 1643.1 Cell parameters: 11.641; 13.914; 10.399; 90; 102.71; 90; |
| COD ID: 2101083 | |
| CIF file | Formula: - C25 H18 O - Comments: Mori, Y.; Maeda, K. Structures and photochemical reactions of 1-(9-anthryl)-2-aroylethylenes: competing <i>cis</i>‒<i>trans</i> isomerization and skeletal rearrangement Acta Crystallographica Section B 50(1) (1994) 106-112 Space group: P 1 21/c 1 Cell volume: 1756.6 Cell parameters: 9.106; 25.977; 7.478; 90; 96.76; 90; |
| COD ID: 2101084 | |
| CIF file | Formula: - C25 H18 O - Comments: Mori, Y.; Maeda, K. Structures and photochemical reactions of 1-(9-anthryl)-2-aroylethylenes: competing <i>cis</i>‒<i>trans</i> isomerization and skeletal rearrangement Acta Crystallographica Section B 50(1) (1994) 106-112 Space group: P 1 21/c 1 Cell volume: 1764 Cell parameters: 12.032; 13.608; 10.829; 90; 95.78; 90; |
| COD ID: 2101085 | |
| CIF file | Formula: - C42 H40 O8 S6 - Comments: Marsh, R. E. On the crystal structures of two inclusion compounds of tris(5-acetyl-3-thienyl)methane Acta Crystallographica Section B 50(1) (1994) 112-116 Space group: P -1 Cell volume: 1057 Cell parameters: 12.329; 11.229; 8.229; 98.42; 106.43; 99.05; |
| COD ID: 2101086 | |
| CIF file | Formula: - C40 H38 O7 S6 - Comments: Marsh, R. E. On the crystal structures of two inclusion compounds of tris(5-acetyl-3-thienyl)methane Acta Crystallographica Section B 50(1) (1994) 112-116 Space group: P -1 Cell volume: 1010.2 Cell parameters: 12.488; 10.372; 8.335; 84.95; 108.74; 98.51; |
| COD ID: 2101087 | |
| CIF file | Formula: - C12 H12 N2 O3 - Comments: Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G. Crystal and molecular structures of pyridazinone cardiovascular agents Acta Crystallographica Section B 50(1) (1994) 71-85 Space group: P 1 21/c 1 Cell volume: 1145.9 Cell parameters: 10.128; 11.035; 11.198; 90; 113.71; 90; |
| COD ID: 2101088 | |
| CIF file | Formula: - C10 H9 N3 O - Comments: Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G. Crystal and molecular structures of pyridazinone cardiovascular agents Acta Crystallographica Section B 50(1) (1994) 71-85 Space group: P 1 21/a 1 Cell volume: 896.8 Cell parameters: 9; 9.398; 11.355; 90; 110.97; 90; |
| COD ID: 2101089 | |
| CIF file | Formula: - C11 H11 N3 O - Comments: Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G. Crystal and molecular structures of pyridazinone cardiovascular agents Acta Crystallographica Section B 50(1) (1994) 71-85 Space group: P 1 21 1 Cell volume: 510.8 Cell parameters: 8.017; 7.199; 8.944; 90; 98.29; 90; |
| COD ID: 2101090 | |
| CIF file | Formula: - C12 H11 N3 O2 - Comments: Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G. Crystal and molecular structures of pyridazinone cardiovascular agents Acta Crystallographica Section B 50(1) (1994) 71-85 Space group: P 1 21/c 1 Cell volume: 1080.2 Cell parameters: 4.434; 15.267; 17.045; 90; 69.42; 90; |
| COD ID: 2101091 | |
| CIF file | Formula: - C13 H13 N3 O3 - Comments: Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G. Crystal and molecular structures of pyridazinone cardiovascular agents Acta Crystallographica Section B 50(1) (1994) 71-85 Space group: P 1 21/c 1 Cell volume: 1221.1 Cell parameters: 17.048; 9.5; 7.54; 90; 90.57; 90; |
| COD ID: 2101092 | |
| CIF file | Formula: - C10 H9 N3 O - Comments: Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G. Crystal and molecular structures of pyridazinone cardiovascular agents Acta Crystallographica Section B 50(1) (1994) 71-85 Space group: P b c a Cell volume: 1817.4 Cell parameters: 7.36; 7.469; 33.061; 90; 90; 90; |
| COD ID: 2101093 | |
| CIF file | Formula: - C10 H8 N2 O - Comments: Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G. Crystal and molecular structures of pyridazinone cardiovascular agents Acta Crystallographica Section B 50(1) (1994) 71-85 Space group: P 1 21/c 1 Cell volume: 828.3 Cell parameters: 7.612; 5.765; 19.249; 90; 101.3; 90; |
| COD ID: 2101094 | |
| CIF file | Formula: - C10 H11 N3 O - Comments: Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G. Crystal and molecular structures of pyridazinone cardiovascular agents Acta Crystallographica Section B 50(1) (1994) 71-85 Space group: P -1 Cell volume: 900.7 Cell parameters: 7.47; 11.52; 11.898; 112.85; 102.06; 96.57; |
| COD ID: 2101095 | |
| CIF file | Formula: - C14 H15 Br N3 O2 - Comments: Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G. Crystal and molecular structures of pyridazinone cardiovascular agents Acta Crystallographica Section B 50(1) (1994) 71-85 Space group: P 1 21 1 Cell volume: 1428.1 Cell parameters: 10.96; 9.697; 13.5885; 90; 98.544; 90; |
| COD ID: 2101096 | |
| CIF file | Formula: - C17 H35 Cl2 N3 O8 - Comments: Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G. Crystal and molecular structures of pyridazinone cardiovascular agents Acta Crystallographica Section B 50(1) (1994) 71-85 Space group: P 21 21 21 Cell volume: 2297 Cell parameters: 7.162; 8.026; 39.96; 90; 90; 90; |
| COD ID: 2101097 | |
| CIF file | Formula: - C5 H10 N2 O2 - Comments: Prout, K.; Bannister, C.; Burns, K.; Chen, M.; Warrington, B. H.; Vinter, J. G. Crystal and molecular structures of pyridazinone cardiovascular agents Acta Crystallographica Section B 50(1) (1994) 71-85 Space group: P 21 21 21 Cell volume: 691.2 Cell parameters: 6.417; 6.892; 15.629; 90; 90; 90; |
| COD ID: 2101098 | |
| CIF file | Formula: - C17 H28 N5 O5 S - Comments: Prout, K.; Burns, K.; Roe, A. M. Structure of the β-blocker/vasodilator agent prizidilol, <small>DL</small>-6-{2-[3-(<i>tert</i>-butylamino)-2-hydroxypropoxy]phenyl}-3-pyridazinylhydrazine hemisulfate monohydrate Acta Crystallographica Section B 50(1) (1994) 68-71 Space group: P n m a Cell volume: 4255 Cell parameters: 10.722; 11.635; 34.105; 90; 90; 90; |
| COD ID: 2101099 | |
| CIF file | Formula: - K2 Mg O12 Si5 - Comments: Bell, A. M. T.; Henderson, C. M. B.; Redfern, S. A. T.; Cernik, R. J.; Champness, P. E.; Fitch, A. N.; Kohn, S. C. Structures of synthetic K~2~MgSi~5~O~12~ leucites by integrated X-ray powder diffraction, electron diffraction and ^29^Si MAS NMR methods Acta Crystallographica Section B 50(1) (1994) 31-41 Space group: I a -3 d Cell volume: 2416.33 Cell parameters: 13.419; 13.419; 13.419; 90; 90; 90; |
| COD ID: 2101100 | |
| CIF file | Formula: - K2 Mg O12 Si5 - Comments: Bell, A. M. T.; Henderson, C. M. B.; Redfern, S. A. T.; Cernik, R. J.; Champness, P. E.; Fitch, A. N.; Kohn, S. C. Structures of synthetic K~2~MgSi~5~O~12~ leucites by integrated X-ray powder diffraction, electron diffraction and ^29^Si MAS NMR methods Acta Crystallographica Section B 50(1) (1994) 31-41 Space group: P 1 21/c 1 Cell volume: 2348 Cell parameters: 13.168; 13.6518; 13.072; 90; 91.69; 90; |
| COD ID: 2101101 | |
| CIF file | Formula: - C24 H20 N2 O4 - Comments: Ciechanowicz-Rutkowska, M.; Kieć-Kononowicz, K.; Howard, S. T.; Lieberman, H.; Hursthouse, M. B. Molecular and electronic structures of two (anticonvulsant) diphenylhydantoin derivatives Acta Crystallographica Section B 50(1) (1994) 86-96 Space group: P -1 Cell volume: 1002.6 Cell parameters: 8.764; 11.112; 11.323; 102.1; 95.44; 109.12; |
| COD ID: 2101102 | |
| CIF file | Formula: - C24 H18 Cl2 N2 O4 - Comments: Ciechanowicz-Rutkowska, M.; Kieć-Kononowicz, K.; Howard, S. T.; Lieberman, H.; Hursthouse, M. B. Molecular and electronic structures of two (anticonvulsant) diphenylhydantoin derivatives Acta Crystallographica Section B 50(1) (1994) 86-96 Space group: P 1 21/n 1 Cell volume: 2102.9 Cell parameters: 8.0392; 9.7237; 26.9768; 90; 94.281; 90; |
| COD ID: 2101103 | |
| CIF file | Formula: - Al28 Mn11 - Comments: Shi, N. C.; Li, X. Z.; Ma, Z. S.; Kuo, K. H. Crystalline phases related to a decagonal quasicrystal. I. A single-crystal X-ray diffraction study of the orthorhombic Al~3~Mn phase Acta Crystallographica Section B 50(1) (1994) 22-30 Space group: P n 21 a Cell volume: 2311.2 Cell parameters: 14.837; 12.457; 12.505; 90; 90; 90; |
| COD ID: 2101104 | |
| CIF file | Formula: - C19 H23 Bi O2 - Comments: Yoshida, S.; Yasui, M.; Iwasaki, F.; Yamamoto, Y.; Chen, X.; Akiba, K. Crystal and molecular structures of bismuth compounds of a spiro-σ-sulfurane type Acta Crystallographica Section B 50(2) (1994) 151-157 Space group: P 1 21/n 1 Cell volume: 1817 Cell parameters: 11.635; 8.837; 18.149; 90; 103.17; 90; |
| COD ID: 2101105 | |
| CIF file | Formula: - C18 H21 Bi O2 - Comments: Yoshida, S.; Yasui, M.; Iwasaki, F.; Yamamoto, Y.; Chen, X.; Akiba, K. Crystal and molecular structures of bismuth compounds of a spiro-σ-sulfurane type Acta Crystallographica Section B 50(2) (1994) 151-157 Space group: C 1 2/c 1 Cell volume: 5950.6 Cell parameters: 19.902; 18.353; 17.303; 90; 109.69; 90; |
| COD ID: 2101106 | |
| CIF file | Formula: - C26 H30 Bi F12 N O3 - Comments: Yoshida, S.; Yasui, M.; Iwasaki, F.; Yamamoto, Y.; Chen, X.; Akiba, K. Crystal and molecular structures of bismuth compounds of a spiro-σ-sulfurane type Acta Crystallographica Section B 50(2) (1994) 151-157 Space group: P 1 21/n 1 Cell volume: 2965.4 Cell parameters: 15.547; 15.9; 11.996; 90; 90.19; 90; |
| COD ID: 2101107 | |
| CIF file | Formula: - H46 K3 Na4 O58 Pr W10 - Comments: Ozeki, T.; Yamase, T. Effect of lanthanide contraction on the structures of the decatungstolanthanoate anions in K~3~Na~4~H~2~[LnW~10~O~36~].<i>n</i>H~2~O (Ln = Pr, Nd, Sm, Gd, Tb, Dy) crystals Acta Crystallographica Section B 50(2) (1994) 128-134 Space group: P 1 21/n 1 Cell volume: 5495.7 Cell parameters: 30.049; 16.055; 11.462; 90; 96.36; 90; |
| COD ID: 2101108 | |
| CIF file | Formula: - H46 K3 Na4 Nd O58 W10 - Comments: Ozeki, T.; Yamase, T. Effect of lanthanide contraction on the structures of the decatungstolanthanoate anions in K~3~Na~4~H~2~[LnW~10~O~36~].<i>n</i>H~2~O (Ln = Pr, Nd, Sm, Gd, Tb, Dy) crystals Acta Crystallographica Section B 50(2) (1994) 128-134 Space group: P 1 21/n 1 Cell volume: 5496.9 Cell parameters: 30.057; 16.051; 11.468; 90; 96.52; 90; |
| COD ID: 2101109 | |
| CIF file | Formula: - Dy H44 K3 Na4 O57 W10 - Comments: Ozeki, T.; Yamase, T. Effect of lanthanide contraction on the structures of the decatungstolanthanoate anions in K~3~Na~4~H~2~[LnW~10~O~36~].<i>n</i>H~2~O (Ln = Pr, Nd, Sm, Gd, Tb, Dy) crystals Acta Crystallographica Section B 50(2) (1994) 128-134 Space group: P 1 21/n 1 Cell volume: 5458 Cell parameters: 29.816; 16.097; 11.443; 90; 96.36; 90; |
| COD ID: 2101110 | |
| CIF file | Formula: - C13 H18 N2 O7 - Comments: Wei, Y.; Barton, R.; Robertson, B. Electron-density and electrostatic potential distributions in nucleoside analogs. I. An experimental study of 3'-<i>O</i>-acetyl-2'-deoxy-5-methoxymethyluridine Acta Crystallographica Section B 50(2) (1994) 161-174 Space group: P 1 Cell volume: 360.62 Cell parameters: 5.9701; 6.7357; 9.577; 77.21; 79.95; 75.45; |
| COD ID: 2101111 | |
| CIF file | Formula: - C4 H8 - Comments: Dorset, D. L.; McCourt, M. P.; Kopp, S.; Wittmann, J.-C.; Lotz, B. Direct determination of polymer crystal structures by electron crystallography ‒ isotactic poly(1-butene), form (III) Acta Crystallographica Section B 50(2) (1994) 201-208 Space group: P 21 21 21 Cell volume: 831.104 Cell parameters: 12.38; 8.88; 7.56; 90; 90; 90; |
| COD ID: 2101112 | |
| CIF file | Formula: - C12 H12 N4 O8 - Comments: Ammon, H. L.; Du, Z.; Holden, J. R.; Paquette, L. A. Structure of 1,1,5,5-tetranitro-[4]peristylane. Structure solution from molecular packing analysis Acta Crystallographica Section B 50(2) (1994) 216-220 Space group: P 1 21 1 Cell volume: 671.98 Cell parameters: 7.073; 11.624; 8.231; 90; 96.79; 90; |
| COD ID: 2101113 | |
| CIF file | Formula: - C21 H27 Br4 N5 O - Comments: Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S. Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists Acta Crystallographica Section B 50(2) (1994) 221-243 Space group: P -1 Cell volume: 1298.6 Cell parameters: 6.314; 11.192; 19.441; 102.47; 92.77; 103.28; |
| COD ID: 2101114 | |
| CIF file | Formula: - C14 H19 Br N4 O2 - Comments: Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S. Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists Acta Crystallographica Section B 50(2) (1994) 221-243 Space group: I 1 2/a 1 Cell volume: 3140 Cell parameters: 16.359; 10.469; 18.339; 90; 90.9; 90; |
| COD ID: 2101115 | |
| CIF file | Formula: - C12 H16 Br N5 O S - Comments: Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S. Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists Acta Crystallographica Section B 50(2) (1994) 221-243 Space group: P -1 Cell volume: 1495.2 Cell parameters: 14.295; 12.447; 9.917; 95.77; 113.86; 106.91; |
| COD ID: 2101116 | |
| CIF file | Formula: - C19 H22 Br N5 O S - Comments: Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S. Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists Acta Crystallographica Section B 50(2) (1994) 221-243 Space group: P 1 21/c 1 Cell volume: 2004.5 Cell parameters: 36.293; 4.826; 11.528; 90; 96.91; 90; |
| COD ID: 2101117 | |
| CIF file | Formula: - C19 H21 N5 O - Comments: Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S. Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists Acta Crystallographica Section B 50(2) (1994) 221-243 Space group: P b n a Cell volume: 3507.1 Cell parameters: 7.082; 19.889; 24.899; 90; 90; 90; |
| COD ID: 2101118 | |
| CIF file | Formula: - C19 H23 F N6 O S - Comments: Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S. Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists Acta Crystallographica Section B 50(2) (1994) 221-243 Space group: P 1 21/n 1 Cell volume: 2032.5 Cell parameters: 6.686; 14.717; 20.85; 90; 97.83; 90; |
| COD ID: 2101119 | |
| CIF file | Formula: - C23 H29 N5 O2 - Comments: Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S. Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists Acta Crystallographica Section B 50(2) (1994) 221-243 Space group: P 1 21/c 1 Cell volume: 2175.8 Cell parameters: 14.966; 16.075; 9.1608; 90; 99.158; 90; |
| COD ID: 2101120 | |
| CIF file | Formula: - C20 H26 N4 O3 - Comments: Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S. Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists Acta Crystallographica Section B 50(2) (1994) 221-243 Space group: P 1 21/c 1 Cell volume: 1949.7 Cell parameters: 8.04; 21.279; 11.404; 90; 92.08; 90; |
| COD ID: 2101121 | |
| CIF file | Formula: - C18 H19 N5 O S - Comments: Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S. Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists Acta Crystallographica Section B 50(2) (1994) 221-243 Space group: P 1 Cell volume: 867.1 Cell parameters: 8.577; 9.197; 11.83; 86.57; 81.88; 69.83; |
| COD ID: 2101122 | |
| CIF file | Formula: - C21 H25 N5 O2 - Comments: Bannister, C.; Burns, K.; Prout, K.; Watkin, D. J.; Cooper, D. G.; Durant, G. J.; Ganellin, C. R.; Ife, R. J.; Sach, G. S. Structures of histamine H~1~-receptor antagonists derived from the cimetidine group of histamine H~2~-receptor antagonists Acta Crystallographica Section B 50(2) (1994) 221-243 Space group: P 1 21/c 1 Cell volume: 1912.7 Cell parameters: 8.1451; 19.522; 12.564; 90; 106.78; 90; |
| COD ID: 2101123 | |
| CIF file | Formula: - C50 H104 - Comments: Gerson, A. R.; Nyburg, S. C. Structures of two binary <i>n</i>-alkane solid solutions Acta Crystallographica Section B 50(2) (1994) 252-256 Space group: C m c 21 Cell volume: 2526.3 Cell parameters: 4.992; 7.503; 67.448; 90.02; 90; 89.95; |
| COD ID: 2101124 | |
| CIF file | Formula: - C42 H88 - Comments: Gerson, A. R.; Nyburg, S. C. Structures of two binary <i>n</i>-alkane solid solutions Acta Crystallographica Section B 50(2) (1994) 252-256 Space group: F m m m Cell volume: 2268 Cell parameters: 5.02; 7.711; 58.6; 90.8; 89.6; 90.01; |
| COD ID: 2101125 | |
| CIF file | Formula: - C14 H20 Fe I N - Comments: Ferguson, George; Gallagher, John F.; Glidewell, Christopher; Zakaria, Choudhury M. Structures of (ferrocenylmethyl)trimethylammonium iodide and hexa-<i>N</i>-methylferrocene-1,1'-diylbis(methylammonium iodide) Acta Crystallographica Section B 50(2) (1994) 146-150 Space group: P 1 21/c 1 Cell volume: 1470.26 Cell parameters: 8.6236; 13.5926; 12.8623; 90; 102.792; 90; |
| COD ID: 2101126 | |
| CIF file | Formula: - C18 H30 Fe I2 N2 - Comments: Ferguson, George; Gallagher, John F.; Glidewell, Christopher; Zakaria, Choudhury M. Structures of (ferrocenylmethyl)trimethylammonium iodide and hexa-<i>N</i>-methylferrocene-1,1'-diylbis(methylammonium iodide) Acta Crystallographica Section B 50(2) (1994) 146-150 Space group: C 1 2/c 1 Cell volume: 4379.5 Cell parameters: 27.1457; 12.3446; 14.5295; 90; 115.909; 90; |
| COD ID: 2101127 | |
| CIF file | Formula: - C11 H8 N4 O7 - Comments: Botoshansky, M.; Herbstein, F. H.; Kapon, M. Pyridinium picrate ‒ the structures of phases I and II. Correction of previous report for phase I. Study of the phase transformation Acta Crystallographica Section B 50(2) (1994) 191-200 Space group: P 1 21/c 1 Cell volume: 1219.6 Cell parameters: 12.122; 3.783; 26.621; 90; 92.56; 90; |
| COD ID: 2101128 | |
| CIF file | Formula: - C11 H8 N4 O7 - Comments: Botoshansky, M.; Herbstein, F. H.; Kapon, M. Pyridinium picrate – the structures of phases I and II. Correction of previous report for phase I. Study of the phase transformation Acta Crystallographica Section B 50(2) (1994) 191-200 Space group: P -1 Cell volume: 648.5 Cell parameters: 10.156; 8.984; 7.23; 86.38; 80.1; 89.97; |
| COD ID: 2101129 | |
| CIF file | Formula: - C14 H26 Cu O4 - Comments: Ghermani, N.-E.; Lecomte, C.; Rapin, C.; Steinmetz, P.; Steinmetz, J.; Malaman, B. Structure and preliminary electron distribution of copper heptanoate from room-temperature X-ray data Acta Crystallographica Section B 50(2) (1994) 157-160 Space group: P -1 Cell volume: 813.7 Cell parameters: 5.17; 8.518; 19.217; 86.65; 83.6; 75.46; |
| COD ID: 2101130 | |
| CIF file | Formula: - C8 H14 N2 O2 - Comments: Tereshko, V.; Monserrat, J. M.; Pérez-Folch, J.; Aymamí, J.; Fita, I.; Subirana, J. A. Structure of the stacked cyclic oligoamides: 1,6-diaza-2,7-cyclodecadione and 1,5,9-triaza-2,6,10-cyclododecatrione. A ring model of the α-helix Acta Crystallographica, Section B: Structural Science 50(2) (1994) 243-251 Space group: P 1 21/n 1 Cell volume: 440.9 Cell parameters: 4.874; 11.714; 8.088; 90; 107.3; 90; |
| COD ID: 2101131 | |
| CIF file | Formula: - C9 H15 N3 O3 - Comments: Tereshko, V.; Monserrat, J. M.; Pérez-Folch, J.; Aymamí, J.; Fita, I.; Subirana, J. A. Structure of the stacked cyclic oligoamides: 1,6-diaza-2,7-cyclodecadione and 1,5,9-triaza-2,6,10-cyclododecatrione. A ring model of the α-helix Acta Crystallographica, Section B: Structural Science 50(2) (1994) 243-251 Space group: R 3 m :H Cell volume: 788 Cell parameters: 13.74; 13.74; 4.82; 90; 90; 120; |
| COD ID: 2101132 | |
| CIF file | Formula: - F6 Li2 Mo - Comments: Baur, W. H. Space group of the trirutile type structure of Li~2~MoF~6~ Acta Crystallographica Section B 50(2) (1994) 141-146 Space group: P42 mnm Cell volume: 201.8 Cell parameters: 4.6863; 4.6863; 9.191; 90; 90; 90; |
| COD ID: 2101133 | |
| CIF file | Formula: - F6 Li2 Mo - Comments: Baur, W. H. Space group of the trirutile type structure of Li~2~MoF~6~ Acta Crystallographica Section B 50(2) (1994) 141-146 Space group: P 42 21 2 Cell volume: 201.8 Cell parameters: 4.6863; 4.6863; 9.191; 90; 90; 90; |
| COD ID: 2101134 | |
| CIF file | Formula: - C26 H12 O6 - Comments: Herbstein, F. H.; Marsh, R. E.; Samson, S. X-ray diffraction study of the crystal structure of the π-molecular compound pyrene^{···^}pyromellitic dianhydride at 19 K Acta Crystallographica Section B 50(2) (1994) 174-181 Space group: P 1 21/n 1 Cell volume: 1827.8 Cell parameters: 13.664; 9.281; 14.42; 90; 91.8; 90; |
| COD ID: 2101135 | |
| CIF file | Formula: - Al3 F19 Pb5 - Comments: Andriamampianina, V.; Gravereau, P.; Ravez, J.; Abrahams, S. C. Relationship between the structures of ferroelectric Pb~5~Cr~3~F~19~ and antiferroelectric Pb~5~Al~3~F~19~ at 295 K and the phase III‒phase IV transition in Pb~5~Al~3~F~19~ on cooling to about 110 K Acta Crystallographica Section B 50(2) (1994) 135-141 Space group: P 4/n :2 Cell volume: 2938.62 Cell parameters: 20.1738; 20.1738; 7.2205; 90; 90; 90; |
| COD ID: 2101136 | |
| CIF file | Formula: - C15 H19 N3 S - Comments: Bartoszak, E.; Jaskólski, M.; Grech, E.; Gustafsson, T.; Olovsson, I. Structure of thiocanate salt of 1,8-bis(dimethylamino)naphthalene (dmanH^+^.SCN^{-^}) at 188 and 290 K Acta Crystallographica Section B 50(3) (1994) 358-363 Space group: P b c n Cell volume: 1498.6 Cell parameters: 8.033; 22.77; 8.193; 90; 90; 90; |
| COD ID: 2101137 | |
| CIF file | Formula: - C15 H19 N3 S - Comments: Bartoszak, E.; Jaskólski, M.; Grech, E.; Gustafsson, T.; Olovsson, I. Structure of thiocanate salt of 1,8-bis(dimethylamino)naphthalene (dmanH^+^.SCN^{-^}) at 188 and 290 K Acta Crystallographica Section B 50(3) (1994) 358-363 Space group: P b c n Cell volume: 1528.6 Cell parameters: 8.0608; 22.941; 8.266; 90; 90; 90; |
| COD ID: 2101138 | |
| CIF file | Formula: - Be H8 O8 S - Comments: Kellersohn, T.; Delaplane, R. G.; Olovsson, I. The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study Acta Crystallographica Section B 50(3) (1994) 316-326 Space group: I -4 c 2 Cell volume: 687.63 Cell parameters: 8.012; 8.012; 10.712; 90; 90; 90; |
| COD ID: 2101139 | |
| CIF file | Formula: - Be H8 O8 S - Comments: Kellersohn, T.; Delaplane, R. G.; Olovsson, I. The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study Acta Crystallographica Section B 50(3) (1994) 316-326 Space group: I -4 c 2 Cell volume: 684.88 Cell parameters: 7.9986; 7.9986; 10.705; 90; 90; 90; |
| COD ID: 2101140 | |
| CIF file | Formula: - Be H8 O8 S - Comments: Kellersohn, T.; Delaplane, R. G.; Olovsson, I. The synergetic effect in beryllium sulfate tetrahydrate ‒ an experimental electron-density study Acta Crystallographica Section B 50(3) (1994) 316-326 Space group: I -4 c 2 Cell volume: 683.59 Cell parameters: 7.9922; 7.9922; 10.702; 90; 90; 90; |
| COD ID: 2101141 | |
| CIF file | Formula: - H3 Li O2 - Comments: Ojamäe, L.; Hermansson, K.; Pisani, C.; Causà, M.; Roetti, C. Structural, vibrational and electronic properties of a crystalline hydrate from <i>ab initio</i> periodic Hartree‒Fock calculations Acta Crystallographica Section B 50(3) (1994) 268-279 Space group: C 1 2/m 1 Cell volume: 184.778 Cell parameters: 7.4153; 8.3054; 3.195; 90; 110.107; 90; |
| COD ID: 2101142 | |
| CIF file | Formula: - C8 H7 F O3 - Comments: Larsen, S.; Marthi, K. Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts Acta Crystallographica Section B 50(3) (1994) 373-381 Space group: P 1 21/c 1 Cell volume: 732.27 Cell parameters: 8.4238; 5.4766; 15.959; 90; 95.962; 90; |
| COD ID: 2101143 | |
| CIF file | Formula: - C8 H7 F O3 - Comments: Larsen, S.; Marthi, K. Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts Acta Crystallographica Section B 50(3) (1994) 373-381 Space group: P 1 21/a 1 Cell volume: 1509.9 Cell parameters: 10.8657; 9.2663; 15.722; 90; 107.474; 90; |
| COD ID: 2101144 | |
| CIF file | Formula: - C8 H7 F O3 - Comments: Larsen, S.; Marthi, K. Structures of racemic monofluoro-substituted mandelic acids, their relation to the thermochemical properties and an analysis of short intermolecular fluorine‒carbon contacts Acta Crystallographica Section B 50(3) (1994) 373-381 Space group: P b c a Cell volume: 1525.7 Cell parameters: 9.4685; 16.497; 9.7677; 90; 90; 90; |
| COD ID: 2101145 | |
| CIF file | Formula: - Al4 Fe Si - Comments: Rømming, C.; Hansen, V.; Gjønnes, J. Crystal structure of β-Al~4.5~FeSi Acta Crystallographica Section B 50(3) (1994) 307-312 Space group: A 1 2/a 1 Cell volume: 791.8 Cell parameters: 6.161; 6.175; 20.813; 90; 90.42; 90; |
| COD ID: 2101146 | |
| CIF file | Formula: - C6 H20 Cl4 Mn N2 - Comments: Meyer, M.; Paciorek, W. A.; Schenk, K. J.; Chapuis, G.; Depmeier, W. Incommensurately modulated structure of γ-PAMC: new experimental evidence for amplitude and phase fluctuations Acta Crystallographica Section B 50(3) (1994) 333-343 Space group: A e m a Cell volume: 1448.5 Cell parameters: 7.414; 7.289; 26.803; 90; 90; 90; |
| COD ID: 2101147 | |
| CIF file | Formula: - C2 D6 O6 - Comments: Lehmann, A.; Luger, P.; Lehmann, C. W.; Ibberson, R. M. Oxalic acid dihydrate – an accurate low-temperature structural study using high-resolution neutron powder diffraction Acta Crystallographica Section B 50(3) (1994) 344-348 Space group: P 1 21/n 1 Cell volume: 245.406 Cell parameters: 6.13661; 3.47501; 11.97044; 90; 105.978; 90; |
| COD ID: 2101148 | |
| CIF file | Formula: - C2 D6 O6 - Comments: Lehmann, A.; Luger, P.; Lehmann, C. W.; Ibberson, R. M. Oxalic acid dihydrate – an accurate low-temperature structural study using high-resolution neutron powder diffraction Acta Crystallographica Section B 50(3) (1994) 344-348 Space group: P 1 21/n 1 Cell volume: 247.218 Cell parameters: 6.13338; 3.50018; 11.98334; 90; 106.06; 90; |
| COD ID: 2101149 | |
| CIF file | Formula: - C7 H6 N2 - Comments: Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B 50(3) (1994) 363-373 Space group: P 21 21 21 Cell volume: 616 Cell parameters: 5.753; 7.503; 14.27; 90; 90; 90; |
| COD ID: 2101150 | |
| CIF file | Formula: - C9 H10 N2 - Comments: Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B 50(3) (1994) 363-373 Space group: P 1 21/c 1 Cell volume: 860.4 Cell parameters: 6.304; 7.937; 17.203; 90; 91.59; 90; |
| COD ID: 2101151 | |
| CIF file | Formula: - C9 H10 N2 - Comments: Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B 50(3) (1994) 363-373 Space group: P 1 21/c 1 Cell volume: 852.5 Cell parameters: 6.325; 7.917; 17.026; 90; 90.95; 90; |
| COD ID: 2101152 | |
| CIF file | Formula: - C11 H14 N2 - Comments: Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B 50(3) (1994) 363-373 Space group: P 43 21 2 Cell volume: 993.3 Cell parameters: 7.737; 7.737; 16.594; 90; 90; 90; |
| COD ID: 2101153 | |
| CIF file | Formula: - C10 H12 N2 - Comments: Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B 50(3) (1994) 363-373 Space group: P 1 21/n 1 Cell volume: 915.1 Cell parameters: 7.482; 7.99; 15.322; 90; 92.51; 90; |
| COD ID: 2101154 | |
| CIF file | Formula: - C10 H12 N2 - Comments: Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B 50(3) (1994) 363-373 Space group: P 1 21/n 1 Cell volume: 899.4 Cell parameters: 7.466; 7.906; 15.251; 90; 92.37; 90; |
| COD ID: 2101155 | |
| CIF file | Formula: - C10 H12 N2 - Comments: Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B 50(3) (1994) 363-373 Space group: P 1 21/n 1 Cell volume: 892.7 Cell parameters: 7.467; 7.862; 15.218; 90; 92.18; 90; |
| COD ID: 2101156 | |
| CIF file | Formula: - C10 H12 N2 - Comments: Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B 50(3) (1994) 363-373 Space group: P 1 21/n 1 Cell volume: 889.7 Cell parameters: 7.467; 7.842; 15.203; 90; 92.06; 90; |
| COD ID: 2101157 | |
| CIF file | Formula: - C10 H12 N2 - Comments: Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B 50(3) (1994) 363-373 Space group: P 1 21/n 1 Cell volume: 886.9 Cell parameters: 7.468; 7.821; 15.187; 90; 91.02; 90; |
| COD ID: 2101158 | |
| CIF file | Formula: - C9 H10 N2 - Comments: Heine, A.; Herbst-Irmer, R.; Stalke, D.; Kühnle, W.; Zachariasse, K. A. Structure and crystal packing of 4-aminobenzonitriles and 4-amino-3,5-dimethylbenzonitriles at various temperatures Acta Crystallographica Section B 50(3) (1994) 363-373 Space group: C 1 2/c 1 Cell volume: 3307.1 Cell parameters: 17.1; 22.385; 8.747; 90; 98.99; 90; |
| COD ID: 2101159 | |
| CIF file | Formula: - Al5 Fe2 - Comments: Burkhardt, U.; Grin, Yu.; Ellner, M.; Peters, K. Structure refinement of the iron‒aluminium phase with the approximate composition Fe~2~Al~5~ Acta Crystallographica Section B 50(3) (1994) 313-316 Space group: C m c m Cell volume: 207.19 Cell parameters: 7.6559; 6.4154; 4.2184; 90; 90; 90; |
| COD ID: 2101160 | |
| CIF file | Formula: - Al9 O36 P8 Si - Comments: Baur, W. H.; Joswig, W.; Kassner, D.; Kornatowski, J.; Finger, G. Structure of SAPO-31 refined from single-crystal diffraction data: substitution of P by Si established by diffraction methods Acta Crystallographica Section B 50(3) (1994) 290-294 Space group: R -3 :H Cell volume: 1885.7 Cell parameters: 20.839; 20.839; 5.014; 90; 90; 120; |
| COD ID: 2101161 | |
| CIF file | Formula: - C4 H16 N Na O10 - Comments: Brożek, Z.; Mucha, D.; Stadnicka, K. X-ray Rietveld structure determination of ammonium Rochelle salt at 120 (paraelectric phase) and 100 K (ferroelectric phase) Acta Crystallographica Section B 50(4) (1994) 465-472 Space group: P 21 21 2 Cell volume: 1072.36 Cell parameters: 12.0762; 14.3621; 6.1829; 90; 90; 90; |
| COD ID: 2101162 | |
| CIF file | Formula: - C4 H16 N Na O10 - Comments: Brożek, Z.; Mucha, D.; Stadnicka, K. X-ray Rietveld structure determination of ammonium Rochelle salt at 120 (paraelectric phase) and 100 K (ferroelectric phase) Acta Crystallographica Section B 50(4) (1994) 465-472 Space group: P 1 21 1 (a-1/4,b,c) Cell volume: 1083.25 Cell parameters: 12.1252; 14.4144; 6.1989; 90; 91.0392; 90; |
| COD ID: 2101163 | |
| CIF file | Formula: - C16 H6 D12 N6 Ni2 - Comments: Büttner, H. G.; Kearley, G. J.; Howard, C. J.; Fillaux, F. Structure of the Hofmann clathrates Ni(NH~3~)~2~Ni(CN)~4~.2C~6~D~6~ and Zn(NH~3~)~2~Ni(CN)~4~.2C~6~H~6~ Acta Crystallographica Section B 50(4) (1994) 431-435 Space group: P 4/m Cell volume: 435.11 Cell parameters: 7.2358; 7.2358; 8.3104; 90; 90; 90; |
| COD ID: 2101164 | |
| CIF file | Formula: - C16 H6 D12 N6 Ni2 - Comments: Büttner, H. G.; Kearley, G. J.; Howard, C. J.; Fillaux, F. Structure of the Hofmann clathrates Ni(NH~3~)~2~Ni(CN)~4~.2C~6~D~6~ and Zn(NH~3~)~2~Ni(CN)~4~.2C~6~H~6~ Acta Crystallographica Section B 50(4) (1994) 431-435 Space group: P 4/m Cell volume: 422.23 Cell parameters: 7.2196; 7.2196; 8.1007; 90; 90; 90; |
| COD ID: 2101165 | |
| CIF file | Formula: - C16 H18 N6 Ni Zn - Comments: Büttner, H. G.; Kearley, G. J.; Howard, C. J.; Fillaux, F. Structure of the Hofmann clathrates Ni(NH~3~)~2~Ni(CN)~4~.2C~6~D~6~ and Zn(NH~3~)~2~Ni(CN)~4~.2C~6~H~6~ Acta Crystallographica Section B 50(4) (1994) 431-435 Space group: P 4/m Cell volume: 433.64 Cell parameters: 7.3294; 7.3294; 8.0722; 90; 90; 90; |
| COD ID: 2101166 | |
| CIF file | Formula: - H8 N Na O6 S - Comments: Arzt, S.; Glazer, A. M. The optical activity and absolute optical chirality of NaNH~4~SO~4~.2H~2~O Acta Crystallographica Section B 50(4) (1994) 425-431 Space group: P 21 21 21 Cell volume: 661.44 Cell parameters: 6.253; 8.228; 12.856; 90; 90; 90; |
| COD ID: 2101167 | |
| CIF file | Formula: - Fe2 O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Synchrotron X-ray study of the electron density in α-Fe~2~O~3~ Acta Crystallographica Section B 50(4) (1994) 435-441 Space group: R -3 c :H Cell volume: 301.88 Cell parameters: 5.0355; 5.0355; 13.7471; 90; 90; 120; |
| COD ID: 2101168 | |
| CIF file | Formula: - Fe2 O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Synchrotron X-ray study of the electron density in α-Fe~2~O~3~ Acta Crystallographica Section B 50(4) (1994) 435-441 Space group: R -3 c :H Cell volume: 301.88 Cell parameters: 5.0355; 5.0355; 13.7471; 90; 90; 120; |
| COD ID: 2101169 | |
| CIF file | Formula: - Fe2 O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Synchrotron X-ray study of the electron density in α-Fe~2~O~3~ Acta Crystallographica Section B 50(4) (1994) 435-441 Space group: R -3 c :H Cell volume: 301.88 Cell parameters: 5.0355; 5.0355; 13.7471; 90; 90; 120; |
| COD ID: 2101170 | |
| CIF file | Formula: - C53 H39.5 Au Cl0.5 F6 O8 Os3 P4 - Comments: Dodd, I. M.; Hao, Q.; Harding, M. M.; Prince, S. M. Structure determination with Laue diffraction data ‒ including refinement when anomalous scatterers are present Acta Crystallographica Section B 50(4) (1994) 441-447 Space group: C 1 2/c 1 Cell volume: 12188 Cell parameters: 37.46; 9.645; 34.86; 90; 104.6; 90; |
| COD ID: 2101171 | |
| CIF file | Formula: - C30 H32 O6 P2 Ru - Comments: Dodd, I. M.; Hao, Q.; Harding, M. M.; Prince, S. M. Structure determination with Laue diffraction data ‒ including refinement when anomalous scatterers are present Acta Crystallographica Section B 50(4) (1994) 441-447 Space group: P 21 21 21 Cell volume: 2955 Cell parameters: 9.367; 13.69; 23.04; 90; 90; 90; |
| COD ID: 2101172 | |
| CIF file | Formula: - C H6 N2 - Comments: Foulon, M.; Lebrun, N.; Muller, M.; Amazzal, A.; Cohen-Adad, M. T. Structure of the stable phase of methylhydrazine ‒ first observations of phase transitions Acta Crystallographica Section B 50(4) (1994) 472-479 Space group: P 1 21/c 1 Cell volume: 288.7 Cell parameters: 10.043; 3.925; 7.67; 90; 107.28; 90; |
| COD ID: 2101173 | |
| CIF file | Formula: - C18 H18 Ba Ca2 O12 - Comments: Hofstätter, G.; Prandl, W.; Brückel, T.; Hiller, W. X-ray and neutron investigation of the structure and disorder in dicalcium barium acrylate Acta Crystallographica Section B 50(4) (1994) 448-455 Space group: P n m a Cell volume: 2937 Cell parameters: 12.496; 12.845; 18.298; 90; 90; 90; |
| COD ID: 2101174 | |
| CIF file | Formula: - C18 H18 Ba Ca2 O12 - Comments: Hofstätter, G.; Prandl, W.; Brückel, T.; Hiller, W. X-ray and neutron investigation of the structure and disorder in dicalcium barium acrylate Acta Crystallographica Section B 50(4) (1994) 448-455 Space group: P n m a Cell volume: 2937.03 Cell parameters: 12.496; 12.845; 18.298; 90; 90; 90; |
| COD ID: 2101175 | |
| CIF file | Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R 3 c :H Cell volume: 318.64 Cell parameters: 5.1513; 5.1513; 13.8654; 90; 90; 120; |
| COD ID: 2101176 | |
| CIF file | Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R 3 c :H Cell volume: 331.75 Cell parameters: 5.2542; 5.2542; 13.8759; 90; 90; 120; |
| COD ID: 2101177 | |
| CIF file | Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R 3 c :H Cell volume: 333.6 Cell parameters: 5.2718; 5.2718; 13.8604; 90; 90; 120; |
| COD ID: 2101178 | |
| CIF file | Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R -3 c :H Cell volume: 334.99 Cell parameters: 5.285; 5.285; 13.8488; 90; 90; 120; |
| COD ID: 2101179 | |
| CIF file | Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R -3 c :H Cell volume: 335.59 Cell parameters: 5.2898; 5.2898; 13.8485; 90; 90; 120; |
| COD ID: 2101180 | |
| CIF file | Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R -3 c :H Cell volume: 335.81 Cell parameters: 5.292; 5.292; 13.846; 90; 90; 120; |
| COD ID: 2101181 | |
| CIF file | Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R 3 c :H Cell volume: 331.75 Cell parameters: 5.2542; 5.2542; 13.8759; 90; 90; 120; |
| COD ID: 2101182 | |
| CIF file | Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R 3 c :H Cell volume: 333.6 Cell parameters: 5.2719; 5.2719; 13.8601; 90; 90; 120; |
| COD ID: 2101183 | |
| CIF file | Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R -3 c :H Cell volume: 334.96 Cell parameters: 5.2849; 5.2849; 13.8481; 90; 90; 120; |
| COD ID: 2101184 | |
| CIF file | Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R -3 c :H Cell volume: 335.56 Cell parameters: 5.2897; 5.2897; 13.8476; 90; 90; 120; |
| COD ID: 2101185 | |
| CIF file | Formula: - Li Nb O3 - Comments: Boysen, H.; Altorfer, F. A neutron powder investigation of the high-temperature structure and phase transition in LiNbO~3~ Acta Crystallographica Section B 50(4) (1994) 405-414 Space group: R -3 c :H Cell volume: 335.79 Cell parameters: 5.292; 5.292; 13.845; 90; 90; 120; |
| COD ID: 2101186 | |
| CIF file | Formula: - C17 H30 N2 O4 - Comments: Milius, W.; Steinlein, C.; Eisenbach, C. D. Structure of <i>trans</i>,<i>trans</i>-4,4'-di(methoxycarbonylimino)dicyclohexylmethane: a model for <i>trans</i>,<i>trans</i>-4,4'-diisocyanatodicyclohexylmethane/1,4-butanediol-based units in polyurethane hard segments Acta Crystallographica Section B 50(4) (1994) 455-458 Space group: P 1 21/n 1 Cell volume: 1840.3 Cell parameters: 17.963; 6.29; 18.214; 90; 116.59; 90; |
| COD ID: 2101187 | |
| CIF file | Formula: - C20 H26 O4 - Comments: Irngartinger, H.; Oeser, T. Difference-density distribution of a prismane derivative Acta Crystallographica Section B 50(4) (1994) 459-464 Space group: P n m a Cell volume: 1745.6 Cell parameters: 15.129; 14.853; 7.768; 90; 90; 90; |
| COD ID: 2101188 | |
| CIF file | Formula: - C24 H33 N O4 - Comments: Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J. Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate Acta Crystallographica Section B 50(5) (1994) 601-607 Space group: P 21 21 21 Cell volume: 2123.1 Cell parameters: 17.266; 19.292; 6.3739; 90; 90; 90; |
| COD ID: 2101189 | |
| CIF file | Formula: - C24 H33 N O4 - Comments: Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J. Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate Acta Crystallographica Section B 50(5) (1994) 601-607 Space group: P 21 21 21 Cell volume: 4339.5 Cell parameters: 11.798; 43.563; 8.4434; 90; 90; 90; |
| COD ID: 2101190 | |
| CIF file | Formula: - C48 H68 N2 O9 - Comments: Jones, R.; Scheffer, J. R.; Trotter, J.; Yang, J. Crystal structures, chiralities and photochemistry of two polymorphs of <small>L</small>-prolinolium α-adamantylacetophenone-<i>p</i>-carboxylate Acta Crystallographica Section B 50(5) (1994) 601-607 Space group: P 21 21 21 Cell volume: 4257.7 Cell parameters: 11.021; 56.481; 6.84; 90; 90; 90; |
| COD ID: 2101191 | |
| CIF file | Formula: - C20 H22 O4 - Comments: Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M. Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate Acta Crystallographica Section B 50(5) (1994) 597-600 Space group: P 1 21/c 1 Cell volume: 1713 Cell parameters: 12.643; 9.288; 15.153; 90; 105.7; 90; |
| COD ID: 2101192 | |
| CIF file | Formula: - C20 H22 O4 - Comments: Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M. Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate Acta Crystallographica Section B 50(5) (1994) 597-600 Space group: P c a 21 Cell volume: 1682 Cell parameters: 7.325; 14.781; 15.535; 90; 90; 90; |
| COD ID: 2101193 | |
| CIF file | Formula: - C20 H22 O4 - Comments: Jones, R.; Scheffer, J. R.; Trotter, J.; Yap, M. Crystal structure and photochemistry of dimethyl 1,4-dihydro-1,4,5,8-tetramethyl-1,4-ethenonaphthalene-2,3-dicarboxylate Acta Crystallographica Section B 50(5) (1994) 597-600 Space group: P b c a Cell volume: 3580.2 Cell parameters: 17.716; 15.298; 13.21; 90; 90; 90; |
| COD ID: 2101194 | |
| CIF file | Formula: - C64 H32 N16 Nd - Comments: Darovsky, A.; Keserashvili, V.; Harlow, R.; Mutikainen, I. Structure of oxidized forms of neodymium and praseodymium (bis)phthalocyanines Acta Crystallographica Section B 50(5) (1994) 582-588 Space group: Cell volume: 2488.1 Cell parameters: 19.544; 19.544; 6.514; 90; 90; 90; |
| COD ID: 2101195 | |
| CIF file | Formula: - C64 H32 N16 Pr - Comments: Darovsky, A.; Keserashvili, V.; Harlow, R.; Mutikainen, I. Structure of oxidized forms of neodymium and praseodymium (bis)phthalocyanines Acta Crystallographica Section B 50(5) (1994) 582-588 Space group: Cell volume: 2602.3 Cell parameters: 20.066; 20.066; 6.463; 90; 90; 90; |
| COD ID: 2101196 | |
| CIF file | Formula: - K0.86 O5 P Rb0.14 Ti - Comments: Thomas, P. A.; Duhlev, R.; Teat, S. J. A comparative structural study of a flux-grown crystal of K~0.86~Rb~0.14~TiOPO~4~ and an ion-exchanged crystal of K~0.84~Rb~0.16~TiOPO~4~ Acta Crystallographica Section B 50(5) (1994) 538-543 Space group: P n a 21 Cell volume: 872.87 Cell parameters: 12.85; 6.4136; 10.5912; 90; 90; 90; |
| COD ID: 2101197 | |
| CIF file | Formula: - K0.84 O5 P Rb0.16 Ti - Comments: Thomas, P. A.; Duhlev, R.; Teat, S. J. A comparative structural study of a flux-grown crystal of K~0.86~Rb~0.14~TiOPO~4~ and an ion-exchanged crystal of K~0.84~Rb~0.16~TiOPO~4~ Acta Crystallographica Section B 50(5) (1994) 538-543 Space group: P n a 21 Cell volume: 873.3 Cell parameters: 12.858; 6.4125; 10.592; 90; 90; 90; |
| COD ID: 2101198 | |
| CIF file | Formula: - Cd Cs2 O12 Si5 - Comments: Bell, A. M. T.; Redfern, S. A. T.; Henderson, C. M. B.; Kohn, S. C. Structural relations and tetrahedral ordering pattern of synthetic orthorhombic Cs~2~CdSi~5~O~12~ leucite: a combined synchrotron X-ray powder diffraction and multinuclear MAS NMR study Acta Crystallographica Section B 50(5) (1994) 560-566 Space group: P b c a Cell volume: 2625.86 Cell parameters: 13.6714; 13.824; 13.8939; 90; 90; 90; |
| COD ID: 2101199 | |
| CIF file | Formula: - C6 H2 N3 O7 Tl - Comments: Botoshansky, M.; Herbstein, F. H.; Kapon, M. Crystallography of metal picrates. II. Crystal structure of yellow thallium(I) picrate; relations among various M(I) picrate phases Acta Crystallographica Section B 50(5) (1994) 589-596 Space group: P 1 21/a 1 Cell volume: 965 Cell parameters: 15.431; 15.83; 3.951; 90; 91.06; 90; |
| COD ID: 2101200 | |
| CIF file | Formula: - Li4 O4 Si - Comments: de Jong, B. H. W. S.; Ellerbroek, D.; Spek, A. L. Low-temperature structure of lithium nesosilicate, Li~4~SiO~4~, and its Li~1<i>s~</i> and O~1<i>s~</i> X-ray photoelectron spectrum Acta Crystallographica Section B 50(5) (1994) 511-518 Space group: P 1 21/m 1 Cell volume: 1153.9 Cell parameters: 11.532; 6.075; 16.678; 90; 99.04; 90; |
| COD ID: 2101201 | |
| CIF file | Formula: - C10 H9 N3 O2 - Comments: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intramolecular N‒H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives Acta Crystallographica Section B 50(5) (1994) 617-625 Space group: C 1 2/c 1 Cell volume: 1911.3 Cell parameters: 11.1; 7.96; 21.744; 90; 95.82; 90; |
| COD ID: 2101202 | |
| CIF file | Formula: - C10 H8 N4 O4 - Comments: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intramolecular N‒H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives Acta Crystallographica Section B 50(5) (1994) 617-625 Space group: P 1 21/c 1 Cell volume: 1134.3 Cell parameters: 7.046; 7.774; 20.917; 90; 98.09; 90; |
| COD ID: 2101203 | |
| CIF file | Formula: - C10 H8 Cl N3 O2 - Comments: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intramolecular N‒H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives Acta Crystallographica Section B 50(5) (1994) 617-625 Space group: P c a 21 Cell volume: 2116.6 Cell parameters: 18.324; 5.771; 20.016; 90; 90; 90; |
| COD ID: 2101204 | |
| CIF file | Formula: - C16 H13 N5 O3 - Comments: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intramolecular N–H^{···^}O hydrogen bonding assisted by resonance. III. Structural studies of 1-ketone-2-arylhydrazone derivatives Acta Crystallographica Section B 50(5) (1994) 617-625 Space group: P 1 21/n 1 Cell volume: 1516 Cell parameters: 12.817; 7.595; 15.652; 90; 95.74; 90; |
| COD ID: 2101205 | |
| CIF file | Formula: - C6 H12 Cl2 Na2 O12 U - Comments: Spengler, R.; Zimmermann, H.; Burzlaff, H.; Jansen, J.; Peschar, R.; Schenk, H. <i>Ab initio</i> structure determination from powder data using direct methods Acta Crystallographica Section B 50(5) (1994) 578-582 Space group: I 1 m 1 Cell volume: 1167.9 Cell parameters: 12.217; 16.543; 5.9206; 90; 102.57; 90; |
| COD ID: 2101206 | |
| CIF file | Formula: - C18 H26 O - Comments: De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid Acta Crystallographica Section B 50(5) (1994) 607-616 Space group: P 21 a b Cell volume: 1621.3 Cell parameters: 7.057; 14.317; 16.047; 90; 90; 90; |
| COD ID: 2101207 | |
| CIF file | Formula: - C16 H22 O - Comments: De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid Acta Crystallographica Section B 50(5) (1994) 607-616 Space group: P -1 Cell volume: 1398.8 Cell parameters: 8.232; 9.641; 18.141; 78.29; 82.93; 89.7; |
| COD ID: 2101208 | |
| CIF file | Formula: - C16 H22 O - Comments: De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid Acta Crystallographica Section B 50(5) (1994) 607-616 Space group: P 1 21/a 1 Cell volume: 1384.2 Cell parameters: 8.232; 11.277; 15.448; 90; 105.15; 90; |
| COD ID: 2101209 | |
| CIF file | Formula: - C16 H22 O - Comments: De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid Acta Crystallographica Section B 50(5) (1994) 607-616 Space group: P 21 c n Cell volume: 1418.5 Cell parameters: 7.476; 13.093; 14.492; 90; 90; 90; |
| COD ID: 2101210 | |
| CIF file | Formula: - C16 H22 O - Comments: De Ridder, Dirk J.A.^3^; Čapková, Pavla^4^; Hatjisymeon, Kostas^5^; Fraanje, Jan; Schenk, Henk Crystal studies of musk compounds. VIII. Structures of five homologues of musk phantolid Acta Crystallographica Section B 50(5) (1994) 607-616 Space group: P 1 21/c 1 Cell volume: 4322 Cell parameters: 11.674; 11.298; 32.89; 90; 94.91; 90; |
| COD ID: 2101211 | |
| CIF file | Formula: - Cu6 Sn5 - Comments: Larsson, A.-K.; Stenberg, L.; Lidin, S. The superstructure of domain-twinned η'-Cu~6~Sn~5~ Acta Crystallographica Section B 50(6) (1994) 636-643 Space group: C 1 2/c 1 Cell volume: 782.18 Cell parameters: 11.036; 7.288; 9.841; 90; 98.81; 90; |
| COD ID: 2101212 | |
| CIF file | Formula: - Cu6 Sn5 - Comments: Larsson, A.-K.; Stenberg, L.; Lidin, S. The superstructure of domain-twinned η'-Cu~6~Sn~5~ Acta Crystallographica Section B 50(6) (1994) 636-643 Space group: C 1 2/c 1 Cell volume: 782.18 Cell parameters: 11.036; 7.288; 9.841; 90; 98.81; 90; |
| COD ID: 2101213 | |
| CIF file | Formula: - C18 H21 Cl N2 O3 S2 - Comments: Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E. Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium <i>p</i>-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds Acta Crystallographica Section B 50(6) (1994) 762-771 Space group: P 1 21/n 1 Cell volume: 1919.8 Cell parameters: 8.5016; 8.2803; 27.447; 90; 96.478; 90; |
| COD ID: 2101214 | |
| CIF file | Formula: - C18 H21 Cl N2 O3 S2 - Comments: Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E. Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium <i>p</i>-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds Acta Crystallographica Section B 50(6) (1994) 762-771 Space group: P 1 21 1 Cell volume: 1917.1 Cell parameters: 8.533; 8.2238; 27.477; 90; 96.13; 90; |
| COD ID: 2101215 | |
| CIF file | Formula: - C18 H21 Cl N2 O3 S2 - Comments: Marthi, K.; Larsen, S.; Ács, M.; Bálint, J.; Fogassy, E. Structures with identical packing; racemic and partially optically pure 3-(2'-chloro-2'-phenylethyl)-2-thiazolidiniminium <i>p</i>-toluenesulfonate and a comparison of the packing in corresponding racemic and optically active compounds Acta Crystallographica Section B 50(6) (1994) 762-771 Space group: P 1 21 1 Cell volume: 1922.1 Cell parameters: 8.583; 8.19; 27.479; 90; 95.7; 90; |
| COD ID: 2101216 | |
| CIF file | Formula: - B Ba Cu La O5 - Comments: Norrestam, R.; Kritikos, M.; Sjödin, A. On the structure and properties of the layered lanthanide (Ln) barium copper oxyborates, LnBaCuO~2~BO~3~ Acta Crystallographica Section B 50(6) (1994) 631-636 Space group: P 4 b m Cell volume: 233.21 Cell parameters: 5.5743; 5.5743; 7.5053; 90; 90; 90; |
| COD ID: 2101217 | |
| CIF file | Formula: - C6 H6 N2 O2 S - Comments: Chertanova, L.; Pascard, C.; Sheremetev, A. X-ray investigation of glyoxime derivatives. V. Two isomers of 2-(thienyl)glyoxime. A database study of the geometry and hydrogen bonding of the oxime group Acta Crystallographica Section B 50(6) (1994) 708-716 Space group: P b c a Cell volume: 1485.8 Cell parameters: 11.074; 9.152; 14.66; 90; 90; 90; |
| COD ID: 2101218 | |
| CIF file | Formula: - C6 H6 N2 O2 S - Comments: Chertanova, L.; Pascard, C.; Sheremetev, A. X-ray investigation of glyoxime derivatives. V. Two isomers of 2-(thienyl)glyoxime. A database study of the geometry and hydrogen bonding of the oxime group Acta Crystallographica Section B 50(6) (1994) 708-716 Space group: P 1 2/c 1 Cell volume: 754.7 Cell parameters: 12.189; 3.865; 16.022; 90; 90.79; 90; |
| COD ID: 2101219 | |
| CIF file | Formula: - C8 H14 O4 - Comments: Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K. Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data Acta Crystallographica Section B 50(6) (1994) 695-703 Space group: P 1 21/c 1 Cell volume: 433.31 Cell parameters: 8.71; 5.0885; 9.815; 90; 95.07; 90; |
| COD ID: 2101220 | |
| CIF file | Formula: - C8 H14 O4 - Comments: Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K. Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data Acta Crystallographica Section B 50(6) (1994) 695-703 Space group: P 1 21/c 1 Cell volume: 435.82 Cell parameters: 8.742; 5.0841; 9.85; 90; 95.43; 90; |
| COD ID: 2101221 | |
| CIF file | Formula: - C8 H14 O4 - Comments: Gao, Q.; Weber, H.-P.; Craven, B. M.; McMullan, R. K. Structure of suberic acid at 18.4, 75 and 123 K from neutron diffraction data Acta Crystallographica Section B 50(6) (1994) 695-703 Space group: P 1 21/c 1 Cell volume: 438.21 Cell parameters: 8.784; 5.0721; 9.889; 90; 95.95; 90; |
| COD ID: 2101222 | |
| CIF file | Formula: - C9 H10 N2 - Comments: Jameson, G. B.; Sheikh-Ali, B. M.; Weiss, R. G. Dimethylaminobenzonitrile: structure of the lower-temperature solid phase. Comparison with the structure of the higher-temperature phase and correlation with optical spectroscopic properties Acta Crystallographica Section B 50(6) (1994) 703-707 Space group: P 1 21/c 1 Cell volume: 843.4 Cell parameters: 7.022; 7.597; 15.812; 90; 90.88; 90; |
| COD ID: 2101223 | |
| CIF file | Formula: - C9 H10 N2 - Comments: Jameson, G. B.; Sheikh-Ali, B. M.; Weiss, R. G. Dimethylaminobenzonitrile: structure of the lower-temperature solid phase. Comparison with the structure of the higher-temperature phase and correlation with optical spectroscopic properties Acta Crystallographica Section B 50(6) (1994) 703-707 Space group: P 1 21/c 1 Cell volume: 861.7 Cell parameters: 6.312; 7.933; 17.216; 90; 91.58; 90; |
| COD ID: 2101224 | |
| CIF file | Formula: - C16 H26 N4 O11 S2 - Comments: Ojala, W. H.; Lu, L. K.; Albers, K. E.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Sudbeck, E. A. Intermolecular interactions of sulfonated azo dyes: crystal structures of the diammonium, dilithium, magnesium and calcium salts of 7-hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid(Orange G) Acta Crystallographica Section B 50(6) (1994) 684-694 Space group: P -1 Cell volume: 1108.8 Cell parameters: 9.165; 10.149; 12.623; 87.43; 88.07; 71; |
| COD ID: 2101225 | |
| CIF file | Formula: - C16 H26 Li2 N2 O15 S2 - Comments: Ojala, W. H.; Lu, L. K.; Albers, K. E.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Sudbeck, E. A. Intermolecular interactions of sulfonated azo dyes: crystal structures of the diammonium, dilithium, magnesium and calcium salts of 7-hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid(Orange G) Acta Crystallographica Section B 50(6) (1994) 684-694 Space group: P -1 Cell volume: 1215.1 Cell parameters: 9.589; 10.495; 14.208; 99.61; 100.58; 115.81; |
| COD ID: 2101226 | |
| CIF file | Formula: - C16 H26 Mg N2 O15 S2 - Comments: Ojala, W. H.; Lu, L. K.; Albers, K. E.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Sudbeck, E. A. Intermolecular interactions of sulfonated azo dyes: crystal structures of the diammonium, dilithium, magnesium and calcium salts of 7-hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid(Orange G) Acta Crystallographica Section B 50(6) (1994) 684-694 Space group: P -1 Cell volume: 1194.2 Cell parameters: 8.844; 10.179; 13.901; 79.18; 79.49; 79.49; |
| COD ID: 2101227 | |
| CIF file | Formula: - C16 H28 Ca N2 O16 S2 - Comments: Ojala, W. H.; Lu, L. K.; Albers, K. E.; Gleason, W. B.; Richardson, T. I.; Lovrien, R. E.; Sudbeck, E. A. Intermolecular interactions of sulfonated azo dyes: crystal structures of the diammonium, dilithium, magnesium and calcium salts of 7-hydroxy-8-(phenylazo)-1,3-naphthalenedisulfonic acid(Orange G) Acta Crystallographica Section B 50(6) (1994) 684-694 Space group: P 1 21/n 1 Cell volume: 2489.5 Cell parameters: 9.395; 27.492; 10.368; 90; 111.62; 90; |
| COD ID: 2101228 | |
| CIF file | Formula: - As K O5 Ti - Comments: Mayo, S. C.; Thomas, P. A.; Teat, S. J.; Loiacono, G. M.; Loiacono, D. N. Structure and non-linear optical properties of KTiOAsO~4~ Acta Crystallographica Section B 50(6) (1994) 655-662 Space group: P n a 21 Cell volume: 931.6 Cell parameters: 13.13; 6.581; 10.781; 90; 90; 90; |
| COD ID: 2101229 | |
| CIF file | Formula: - C3 H3 N3 O2 - Comments: Llamas-Saiz, A. L.; Foces-Foces, C.; Cano, F. H.; Jiménez, P.; Laynez, J.; Meutermans, W.; Elguero, J.; Limbach, H.-H.; Aguilar-Parrilla, F. The influence of the nitro group on the solid-state structure of 4-nitropyrazoles: the cases of pyrazole, 3,5-dimethylpyrazole, 3,5-di-<i>tert</i>-butylpyrazole and 3,5-diphenylpyrazole. I. Static aspects (crystallography and thermodynamics) Acta Crystallographica Section B 50(6) (1994) 746-762 Space group: P -1 Cell volume: 749.81 Cell parameters: 9.8831; 9.6688; 8.3417; 81.139; 100.076; 105.966; |
| COD ID: 2101230 | |
| CIF file | Formula: - C11 H19 N3 O2 - Comments: Llamas-Saiz, A. L.; Foces-Foces, C.; Cano, F. H.; Jiménez, P.; Laynez, J.; Meutermans, W.; Elguero, J.; Limbach, H.-H.; Aguilar-Parrilla, F. The influence of the nitro group on the solid-state structure of 4-nitropyrazoles: the cases of pyrazole, 3,5-dimethylpyrazole, 3,5-di-<i>tert</i>-butylpyrazole and 3,5-diphenylpyrazole. I. Static aspects (crystallography and thermodynamics) Acta Crystallographica Section B 50(6) (1994) 746-762 Space group: P 1 21/c 1 Cell volume: 1232.98 Cell parameters: 10.6407; 9.618; 12.6649; 90; 107.962; 90; |
| COD ID: 2101231 | |
| CIF file | Formula: - C15 H11 N3 O2 - Comments: Llamas-Saiz, A. L.; Foces-Foces, C.; Cano, F. H.; Jiménez, P.; Laynez, J.; Meutermans, W.; Elguero, J.; Limbach, H.-H.; Aguilar-Parrilla, F. The influence of the nitro group on the solid-state structure of 4-nitropyrazoles: the cases of pyrazole, 3,5-dimethylpyrazole, 3,5-di-<i>tert</i>-butylpyrazole and 3,5-diphenylpyrazole. I. Static aspects (crystallography and thermodynamics) Acta Crystallographica Section B 50(6) (1994) 746-762 Space group: P 1 21/c 1 Cell volume: 2490.9 Cell parameters: 18.1399; 12.0814; 11.5184; 90; 99.339; 90; |
| COD ID: 2101232 | |
| CIF file | Formula: - C21 H39 O18 - Comments: Le Bas, G.; Mason, S. A. Neutron diffraction structure of α-cyclodextrin cyclopentanone hydrate at 20 K: host‒guest interactive disorder Acta Crystallographica Section B 50(6) (1994) 717-724 Space group: P 6 Cell volume: 3868 Cell parameters: 23.725; 23.725; 7.935; 90; 90; 120; |
| COD ID: 2101233 | |
| CIF file | Formula: - C2 H6 Cu O12 Zn3 - Comments: Harding, M. M.; Kariuki, B. M.; Cernik, R.; Cressey, G. The structure of aurichalcite, (Cu,Zn)~5~(OH)~6~(CO~3~)~2~, determined from a microcrystal Acta Crystallographica Section B 50(6) (1994) 673-676 Space group: P 1 21/m 1 Cell volume: 461 Cell parameters: 13.82; 6.419; 5.29; 90; 101.04; 90; |
| COD ID: 2101234 | |
| CIF file | Formula: - O2 Zr - Comments: Yashima, M.; Sasaki, S.; Kakihana, M.; Yamaguchi, Y.; Arashi, H.; Yoshimura, M. Oxygen-induced structural change of the tetragonal phase around the tetragonal‒cubic phase boundary in ZrO~2~‒YO~1.5~ solid solutions Acta Crystallographica Section B 50(6) (1994) 663-672 Space group: F m -3 m Cell volume: 136.062 Cell parameters: 5.14335; 5.14335; 5.14335; 90; 90; 90; |
| COD ID: 2101235 | |
| CIF file | Formula: - Nb Te4 - Comments: Kusz, J.; Böhm, H. The low-temperature structure of NbTe~4~ Acta Crystallographica Section B 50(6) (1994) 649-655 Space group: P 4/m Cell volume: 286.76 Cell parameters: 6.4835; 6.4835; 6.8217; 90; 90; 90; |
| COD ID: 2101236 | |
| CIF file | Formula: - Nb Te4 - Comments: Kusz, J.; Böhm, H. The low-temperature structure of NbTe~4~ Acta Crystallographica Section B 50(6) (1994) 649-655 Space group: P 4/m c c Cell volume: 286.76 Cell parameters: 6.4835; 6.4835; 6.8217; 90; 90; 90; |
| COD ID: 2101237 | |
| CIF file | Formula: - Nb Te4 - Comments: Kusz, J.; Böhm, H. The low-temperature structure of NbTe~4~ Acta Crystallographica Section B 50(6) (1994) 649-655 Space group: P 4 Cell volume: 286.76 Cell parameters: 6.4835; 6.4835; 6.8217; 90; 90; 90; |
| COD ID: 2101238 | |
| CIF file | Formula: - C14 H18 N2 O4 - Comments: De Ridder, D. J. A.; Schenk, H. Crystal studies of musk compounds. XI. Molecular structures of musk moskene and two homologues Acta Crystallographica Section B 50(6) (1994) 724-730 Space group: P 21 21 21 Cell volume: 1438.8 Cell parameters: 9.6789; 15.6129; 9.5209; 90; 90; 90; |
| COD ID: 2101239 | |
| CIF file | Formula: - C15 H21 N O2 - Comments: De Ridder, D. J. A.; Schenk, H. Crystal studies of musk compounds. XI. Molecular structures of musk moskene and two homologues Acta Crystallographica Section B 50(6) (1994) 724-730 Space group: P 1 21/n 1 Cell volume: 1400.2 Cell parameters: 8.623; 10.6; 15.366; 90; 94.49; 90; |
| COD ID: 2101240 | |
| CIF file | Formula: - C15 H20 N2 O4 - Comments: De Ridder, D. J. A.; Schenk, H. Crystal studies of musk compounds. XI. Molecular structures of musk moskene and two homologues Acta Crystallographica Section B 50(6) (1994) 724-730 Space group: P 1 21/n 1 Cell volume: 1536.5 Cell parameters: 8.364; 11.668; 15.996; 90; 100.17; 90; |
| COD ID: 2101241 | |
| CIF file | Formula: - C16 H23 N O2 - Comments: De Ridder, D. J. A.; Fraanje, J.; Goubitz, K.; Schenk, H. Crystal studies of musk compounds. XII. Molecular structures of three nitrotetralin-related compounds Acta Crystallographica Section B 50(6) (1994) 730-737 Space group: P 1 21/n 1 Cell volume: 1481.7 Cell parameters: 8.695; 10.448; 16.31; 90; 90.09; 90; |
| COD ID: 2101242 | |
| CIF file | Formula: - C16 H22 N2 O4 - Comments: De Ridder, D. J. A.; Fraanje, J.; Goubitz, K.; Schenk, H. Crystal studies of musk compounds. XII. Molecular structures of three nitrotetralin-related compounds Acta Crystallographica Section B 50(6) (1994) 730-737 Space group: P -1 Cell volume: 1612.4 Cell parameters: 8.2352; 13.0225; 15.4669; 99.856; 94.886; 97.018; |
| COD ID: 2101243 | |
| CIF file | Formula: - C16 H22 N2 O4 - Comments: De Ridder, D. J. A.; Fraanje, J.; Goubitz, K.; Schenk, H. Crystal studies of musk compounds. XII. Molecular structures of three nitrotetralin-related compounds Acta Crystallographica Section B 50(6) (1994) 730-737 Space group: P -1 Cell volume: 798.97 Cell parameters: 8.7422; 10.2027; 10.4811; 94.637; 110.063; 110.765; |
| COD ID: 2101244 | |
| CIF file | Formula: - C60 H36 F3 P0.5 - Comments: Kuhs, W. F.; Mattern, G.; Brütting, W.; Dragan, H.; Burggraf, M.; Pilawa, B.; Dormann, E. Electrocrystallization, crystal structure and physical properties of hexaperylene hexafluorophosphate, (C~20~H~12~)~6~^.+^.PF~6~^{-^} Acta Crystallographica Section B 50(6) (1994) 741-746 Space group: P -1 Cell volume: 1904.6 Cell parameters: 12.412; 13.766; 13.855; 110.63; 106.86; 106.94; |
| COD ID: 2101245 | |
| CIF file | Formula: - C20 H22 N2 O3 - Comments: Crano, J.; Knowles, D.; Kwiatkowski, P.; Flood, T.; Ross, R.; Chiang, L.; Lasch, J.; Chadha, R.; Siuzdak, G. Structure of three novel photochromic compounds; X-ray crystallographic and theoretical studies Acta Crystallographica Section B 50(6) (1994) 772-779 Space group: P 1 21/c 1 Cell volume: 3648.5 Cell parameters: 12.151; 12.09; 24.836; 90; 90.31; 90; |
| COD ID: 2101246 | |
| CIF file | Formula: - C21 H24 N2 O4 - Comments: Crano, J.; Knowles, D.; Kwiatkowski, P.; Flood, T.; Ross, R.; Chiang, L.; Lasch, J.; Chadha, R.; Siuzdak, G. Structure of three novel photochromic compounds; X-ray crystallographic and theoretical studies Acta Crystallographica Section B 50(6) (1994) 772-779 Space group: P 1 21/c 1 Cell volume: 1899.4 Cell parameters: 8.025; 12.415; 19.319; 90; 99.31; 90; |
| COD ID: 2101247 | |
| CIF file | Formula: - C20 H21 F N2 O3 - Comments: Crano, J.; Knowles, D.; Kwiatkowski, P.; Flood, T.; Ross, R.; Chiang, L.; Lasch, J.; Chadha, R.; Siuzdak, G. Structure of three novel photochromic compounds; X-ray crystallographic and theoretical studies Acta Crystallographica Section B 50(6) (1994) 772-779 Space group: P 1 21/c 1 Cell volume: 1806.5 Cell parameters: 11.484; 13.832; 11.511; 90; 98.9; 90; |
| COD ID: 2106083 | |
| CIF file | Formula: - Al5.6 Fe2 - Comments: Burkhardt, U.; Grin', Yu.; Ellner, M.; Peters, K. Structure refinement of the iron-aluminium phase with the approxinate composition Fe2 Al5 Acta Crystallographica B (39,1983-) 50 (1994) 313-316 Space group: C m c m Cell volume: 207.19 Cell parameters: 7.6559; 6.4154; 4.2184; 90; 90; 90; |
| COD ID: 2107329 | |
| CIF file | Formula: - Al9 Fe2 Si2 - Comments: Romming, C.; Hansen, V.; Gjonnes, J. Crystal structure of beta-Al4.5 Fe Si Acta Crystallographica B (39,1983-) 50 (1994) 307-312 Space group: C 1 2/c 1 Cell volume: 791.792 Cell parameters: 20.813; 6.175; 6.161; 90; 90.42; 90; |
| COD ID: 9017321 | |
| CIF file | Formula: - As K O5 Ti - Comments: Mayo, S. C.; Thomas, P. A.; Teat, S. J.; Loiacono, G. M.; Loiacono, D. N. Structure and non-linear optical properties of KTiOAsO4 Acta Crystallographica, Section B 50 (1994) 655-662 Space group: P n a 21 Cell volume: 932.798 Cell parameters: 13.138; 6.582; 10.787; 90; 90; 90; |
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