Crystallography Open Database

Search results

Result : There are 186 entries in the selection

You can download the COD numbers of the selection as a text file

You can download all files as a single ZIP archive

Searching journal of publication like 'Acta Crystallographica Section B' volume of publication is 51

COD ID: 1001657
CIF file	Formula: - Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 - Comments: Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d Acta Crystallographica B (39,1983-) 51 (1995) 18-22 Space group: P 4/m m m Cell volume: 181.4 Cell parameters: 3.8271; 3.8271; 12.385; 90; 90; 90;

COD ID: 1001658
CIF file	Formula: - Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 - Comments: Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d Acta Crystallographica B (39,1983-) 51 (1995) 18-22 Space group: P 4/m m m Cell volume: 182.3 Cell parameters: 3.8356; 3.8356; 12.39; 90; 90; 90;

COD ID: 1001659
CIF file	Formula: - Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 - Comments: Labbe, Ph; Ledesert, M; Maignan, A; Martin, C; Leligny, H; Raveau, B Single crystal study of the 'BaSr' 1212 superconductor Tl1+x Ba Sr Ca1- x Cu2 O7-d Acta Crystallographica B (39,1983-) 51 (1995) 18-22 Space group: P 4/m m m Cell volume: 181 Cell parameters: 3.8234; 3.8234; 12.384; 90; 90; 90;

COD ID: 1001660
CIF file	Formula: - Mg O6 Pb2 W - Comments: Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D. Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6 Acta Crystallographica B (39,1983-) 51(5) (1995) 668-673 Space group: F m -3 m Cell volume: 513.1 Cell parameters: 8.0058; 8.0058; 8.0058; 90; 90; 90;

COD ID: 1001661
CIF file	Formula: - Mg O6 Pb2 W - Comments: Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6 Acta Crystallographica B (39,1983-) 51 (1995) 668-673 Space group: P m c n Cell volume: 515.3 Cell parameters: 7.944; 5.6866; 11.4059; 90; 90; 90;

COD ID: 1001662
CIF file	Formula: - Mg O6 Pb2 W - Comments: Baldinozzi, G; Sciau, Ph; Pinot, M; Grebille, D Crystal structure of the antiferroelectric perovskite Pb2 Mg W O6 Acta Crystallographica B (39,1983-) 51 (1995) 668-673 Space group: P m c n Cell volume: 515.9 Cell parameters: 7.9041; 5.7035; 11.4442; 90; 90; 90;

COD ID: 2101248
CIF file Original IUCr paper	Formula: - C4 D6 - Comments: Ibberson, R. M.; Prager, M. The <i>Ab initio</i> crystal-structure determination of perdeuterodimethylacetylene by high-resolution neutron powder diffraction Acta Crystallographica Section B 51(1) (1995) 71-76 Space group: C 1 2/m 1 Cell volume: 184.967 Cell parameters: 7.15889; 6.45529; 4.07818; 90; 101.053; 90;

COD ID: 2101249
CIF file Original IUCr paper	Formula: - C31 H21 O4 - Comments: Mori, Y.; Niwa, A.; Maeda, K. Structural study of chromotropic [dibenzofuran]diones by X-ray structure analysis and MO calculation Acta Crystallographica Section B 51(1) (1995) 61-65 Space group: P -1 Cell volume: 1129.4 Cell parameters: 10.421; 12.772; 10.016; 108.22; 114.42; 72.35;

COD ID: 2101250
CIF file Original IUCr paper	Formula: - Cl5 Fe H2 K2 O - Comments: Schultz, A. J.; Carlin, R. L. Single-crystal pulsed neutron diffraction structure of the antiferromagnet K~2~[FeCl~5~(H~2~O)] with and without applied pressure Acta Crystallographica Section B 51(1) (1995) 43-47 Space group: P n m a Cell volume: 907.3 Cell parameters: 13.452; 9.631; 7.003; 90; 90; 90;

COD ID: 2101251
CIF file Original IUCr paper	Formula: - Cl5 Fe H2 K2 O - Comments: Schultz, A. J.; Carlin, R. L. Single-crystal pulsed neutron diffraction structure of the antiferromagnet K~2~[FeCl~5~(H~2~O)] with and without applied pressure Acta Crystallographica Section B 51(1) (1995) 43-47 Space group: P n m a Cell volume: 896.9 Cell parameters: 13.391; 9.648; 6.942; 90; 90; 90;

COD ID: 2101252

CIF file

Original IUCr paper

Formula: - Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 -
Comments: Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B. Single crystal study of the `BaSr' 1212 superconductor Tl~1+x~BaSrCa~1{-~x}Cu~2~O~7{-~δ} Acta Crystallographica Section B 51(1) (1995) 18-22
Space group: P 4/m m m
Cell volume: 181.55
Cell parameters: 3.8271; 3.8271; 12.395; 90; 90; 90;

COD ID: 2101253
CIF file Original IUCr paper	Formula: - Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 - Comments: Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B. Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-δ~ Acta Crystallographica Section B 51(1) (1995) 18-22 Space group: P 4/m m m Cell volume: 182.2 Cell parameters: 3.8356; 3.8356; 12.39; 90; 90; 90;

COD ID: 2101254
CIF file Original IUCr paper	Formula: - Ba1.04 Ca0.78 Cu2 O7 Sr0.96 Tl1.22 - Comments: Labbé, P.; Ledésert, M.; Maignan, A.; Martin, C.; Leligny, H.; Raveau, B. Single crystal study of the `BaSr' 1212 superconductor Tl~1+<i>x~</i>BaSrCa~1-<i>x~</i>Cu~2~O~7-δ~ Acta Crystallographica Section B 51(1) (1995) 18-22 Space group: P 4/m m m Cell volume: 181 Cell parameters: 3.8234; 3.8234; 12.384; 90; 90; 90;

COD ID: 2101255
CIF file Original IUCr paper	Formula: - C67 H130 Cl2 N10 O53 - Comments: Sheldrick, G. M.; Paulus, E.; Vértesy, L.; Hahn, F. Structure of ureido-balhimycin Acta Crystallographica Section B 51(1) (1995) 89-98 Space group: P 1 Cell volume: 4850 Cell parameters: 17.909; 18.466; 18.873; 96.65; 114.15; 114.78;

COD ID: 2101256
CIF file Original IUCr paper	Formula: - C29 H48 O4.5 - Comments: Candeloro De Sanctis, S.; Coiro, V. M.; Mazza, F.; Pochetti, G. The inclusion compound of deoxycholic acid with (‒)-camphor: a structural and energetic study Acta Crystallographica Section B 51(1) (1995) 81-89 Space group: P 21 21 2 Cell volume: 2735.9 Cell parameters: 27.266; 13.865; 7.237; 90; 90; 90;

COD ID: 2101257
CIF file Original IUCr paper	Formula: - C11 H26 N O3.5 - Comments: Aigouy, T.; Costeseque, P.; Sempere, R.; Senac, T.; Jaud, J.; Anglerot, D. Caractérisation structurale et évolution thermique de l'acide amino-11-undécanoïque (C~11~H~23~NO~2~.1,5H~2~O) Acta Crystallographica Section B 51(1) (1995) 55-61 Space group: C 1 2/c 1 Cell volume: 2635.5 Cell parameters: 15.94; 4.714; 35.436; 90; 98.2; 90;

COD ID: 2101258

CIF file

Original IUCr paper

Formula: - C2 H0.67 Cl21.34 I N4 P5 -
Comments: Belaj, F. Structure and thermal motion of tetrakis(trichlorophosphazeno)phosphonium dichloroiodate(I), [P(NPCl~3~)~4~]^+^[ICl~2~]^{‒^}.2[(CCl~4~)~x~(CHCl~3~)~1{-~x}], x = 0.67 (2) Acta Crystallographica Section B 51(1) (1995) 65-71
Space group: I 41/a c d
Cell volume: 7213
Cell parameters: 16.114; 16.114; 27.777; 90; 90; 90;

COD ID: 2101259
CIF file Original IUCr paper	Formula: - Bi2 O11 Ti4 - Comments: Kahlenberg, V.; Böhm, H. The structures of α- and β-Bi~2~Ti~4~O~11~ Acta Crystallographica Section B 51(1) (1995) 11-18 Space group: C 1 2/c 1 Cell volume: 829.1 Cell parameters: 14.5999; 3.8063; 14.9418; 90; 93.129; 90;

COD ID: 2101260
CIF file Original IUCr paper	Formula: - Bi2 O11 Ti4 - Comments: Kahlenberg, V.; Böhm, H. The structures of α- and β-Bi~2~Ti~4~O~11~ Acta Crystallographica Section B 51(1) (1995) 11-18 Space group: C 1 2/m 1 Cell volume: 416.05 Cell parameters: 14.6412; 3.8032; 10.7824; 90; 136.135; 90;

COD ID: 2101261
CIF file Original IUCr paper	Formula: - C6 H12 O6 - Comments: van Eijck, B. P.; Mooij, W. T. M.; Kroon, J. Attempted prediction of the crystal structures of six monosaccharides Acta Crystallographica Section B 51(1) (1995) 99-103 Space group: P 21 21 21 Cell volume: 679.454 Cell parameters: 7.49; 7.78; 11.66; 90; 90; 90;

COD ID: 2101262
CIF file Original IUCr paper	Formula: - C6 H12 O6 - Comments: van Eijck, B. P.; Mooij, W. T. M.; Kroon, J. Attempted prediction of the crystal structures of six monosaccharides Acta Crystallographica Section B 51(1) (1995) 99-103 Space group: P 21 21 21 Cell volume: 671.456 Cell parameters: 6.05; 9.35; 11.87; 90; 90; 90;

COD ID: 2101263
CIF file Original IUCr paper	Formula: - H8 O10 S2 Sr - Comments: Fábry, J. Structure redetermination of SrS~2~O~6~.4H~2~O Acta Crystallographica Section B 51(1) (1995) 23-30 Space group: P 32 Cell volume: 2676.5 Cell parameters: 12.692; 12.692; 19.186; 90; 90; 120;

COD ID: 2101264

CIF file

Original IUCr paper

Formula: - C6 H11 N O3 -
Comments: Maurin, J. K.; Leś, A.; Winnicka-Maurin, M. Resonance-assisted hydrogen bonds between oxime and carboxyl group. Comparison of tetrameric structures of 4-methyl-2-oxopentanoic acid oxime and levulinic acid oxime Acta Crystallographica Section B 51(2) (1995) 232-240
Space group: P -1
Cell volume: 790.5
Cell parameters: 10.822; 13.743; 5.408; 96.47; 97.97; 86.31;

COD ID: 2101265

CIF file

Original IUCr paper

Formula: - C5 H9 N O3 -
Comments: Maurin, J. K.; Leś, A.; Winnicka-Maurin, M. Resonance-assisted hydrogen bonds between oxime and carboxyl group. Comparison of tetrameric structures of 4-methyl-2-oxopentanoic acid oxime and levulinic acid oxime Acta Crystallographica Section B 51(2) (1995) 232-240
Space group: P 1 21/c 1
Cell volume: 1337.2
Cell parameters: 8.568; 5.916; 26.403; 90; 92.39; 90;

COD ID: 2101266
CIF file Original IUCr paper	Formula: - C20 H20 - Comments: Ogawa, K.; Harada, J.; Tomoda, S. Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes Acta Crystallographica Section B 51(2) (1995) 240-248 Space group: C 1 2/c 1 Cell volume: 1390.9 Cell parameters: 21.71; 8.553; 7.528; 90; 95.73; 90;

COD ID: 2101267
CIF file Original IUCr paper	Formula: - C22 H24 - Comments: Ogawa, K.; Harada, J.; Tomoda, S. Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes Acta Crystallographica Section B 51(2) (1995) 240-248 Space group: P -1 Cell volume: 1702.2 Cell parameters: 10.703; 15.902; 10.302; 90.65; 90.01; 103.86;

COD ID: 2101268
CIF file Original IUCr paper	Formula: - C22 H24 - Comments: Ogawa, K.; Harada, J.; Tomoda, S. Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes Acta Crystallographica Section B 51(2) (1995) 240-248 Space group: P -1 Cell volume: 1655.5 Cell parameters: 10.555; 15.815; 10.206; 90.47; 90.14; 103.64;

COD ID: 2101269
CIF file Original IUCr paper	Formula: - C20 H20 - Comments: Ogawa, K.; Harada, J.; Tomoda, S. Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes Acta Crystallographica Section B 51(2) (1995) 240-248 Space group: P 1 21/n 1 Cell volume: 669.6 Cell parameters: 5.182; 5.376; 24.079; 90; 93.42; 90;

COD ID: 2101270
CIF file Original IUCr paper	Formula: - C20 H20 - Comments: Ogawa, K.; Harada, J.; Tomoda, S. Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes Acta Crystallographica Section B 51(2) (1995) 240-248 Space group: P 1 21/n 1 Cell volume: 686.3 Cell parameters: 5.225; 5.42; 24.26; 90; 92.67; 90;

COD ID: 2101271
CIF file Original IUCr paper	Formula: - C20 H20 - Comments: Ogawa, K.; Harada, J.; Tomoda, S. Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes Acta Crystallographica Section B 51(2) (1995) 240-248 Space group: C 1 2/c 1 Cell volume: 1441 Cell parameters: 21.776; 8.62; 7.709; 90; 95.22; 90;

COD ID: 2101272
CIF file Original IUCr paper	Formula: - C20 H20 - Comments: Ogawa, K.; Harada, J.; Tomoda, S. Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes Acta Crystallographica Section B 51(2) (1995) 240-248 Space group: P 1 21/n 1 Cell volume: 664.5 Cell parameters: 5.605; 4.979; 23.835; 90; 92.58; 90;

COD ID: 2101273
CIF file Original IUCr paper	Formula: - C20 H20 - Comments: Ogawa, K.; Harada, J.; Tomoda, S. Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes Acta Crystallographica Section B 51(2) (1995) 240-248 Space group: P 1 21/n 1 Cell volume: 681.1 Cell parameters: 5.627; 5.05; 23.987; 90; 92.31; 90;

COD ID: 2101274
CIF file Original IUCr paper	Formula: - C20 H20 - Comments: Ogawa, K.; Harada, J.; Tomoda, S. Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes Acta Crystallographica Section B 51(2) (1995) 240-248 Space group: P -1 Cell volume: 1451.4 Cell parameters: 13.188; 14.693; 7.6702; 98.444; 98.961; 90.552;

COD ID: 2101275
CIF file Original IUCr paper	Formula: - C20 H20 - Comments: Ogawa, K.; Harada, J.; Tomoda, S. Unusually short ethylene bond and large amplitude torsional motion of (<i>E</i>)-stilbenes in crystals. X-ray crystallographic study of `stiff' stilbenes Acta Crystallographica Section B 51(2) (1995) 240-248 Space group: P -1 Cell volume: 1490.3 Cell parameters: 13.302; 14.763; 7.757; 97.75; 98.94; 90.53;

COD ID: 2101276

CIF file

Original IUCr paper

Formula: - C14 H12 Cl N -
Comments: Haller, K. J.; Rae, A. D.; Heerdegen, A. P.; Hockless, D. C. R.; Welberry, T. R. The fourfold disordered structures of p-chloro-N-(p-methylbenzylidene)aniline and p-methyl-N-(p-chlorobenzylidene)aniline Acta Crystallographica Section B 51(2) (1995) 187-197
Space group: P 1 21/n 1
Cell volume: 1198.4
Cell parameters: 5.965; 7.423; 27.42; 90; 99.22; 90;

COD ID: 2101277

CIF file

Original IUCr paper

Formula: - C14 H12 Cl N -
Comments: Haller, K. J.; Rae, A. D.; Heerdegen, A. P.; Hockless, D. C. R.; Welberry, T. R. The fourfold disordered structures of p-chloro-N-(p-methylbenzylidene)aniline and p-methyl-N-(p-chlorobenzylidene)aniline Acta Crystallographica Section B 51(2) (1995) 187-197
Space group: P 1 21/a 1
Cell volume: 599.9
Cell parameters: 5.971; 7.411; 13.731; 90; 99.13; 90;

COD ID: 2101278
CIF file Original IUCr paper	Formula: - H12 O18 Si12 - Comments: Törnroos, K. W.; Bürgi, H.-B.; Calzaferri, G.; Bürgy, H. The crystal and molecular structure of dodecahydridosilasesquioxane, H~12~Si~12~O~18~ Acta Crystallographica Section B 51(2) (1995) 155-161 Space group: P b c a Cell volume: 4670.4 Cell parameters: 14.605; 20.738; 15.42; 90; 90; 90;

COD ID: 2101279
CIF file Original IUCr paper	Formula: - C6 H10 N2 O2 - Comments: Louër, D.; Louër, M.; Dzyabchenko, V. A.; Agafonov, V.; Ceolin, R. Structure of a metastable phase of piracetami from X-ray powder diffraction using the atom–atom potential method Acta Crystallographica Section B 51(2) (1995) 182-187 Space group: P 1 21/n 1 Cell volume: 723.36 Cell parameters: 6.747; 13.418; 8.09; 90; 99.01; 90;

COD ID: 2101280
CIF file Original IUCr paper	Formula: - C13 H21 F11 Sb2 - Comments: Laube, T.; Schaller, E. Redetermination of the crystal structure of 3,5,7-trimethyl-1-adamantyl undecafluorodiantimonate(V) Acta Crystallographica Section B 51(2) (1995) 177-181 Space group: P b c a Cell volume: 3825 Cell parameters: 11.527; 16.228; 20.45; 90; 90; 90;

COD ID: 2101281
CIF file Original IUCr paper	Formula: - C7 H10 N2 O2 - Comments: Suwinska, K. Structure and thermochemical properties of some alkyluracils Acta Crystallographica Section B 51(2) (1995) 248-254 Space group: P -1 Cell volume: 381.2 Cell parameters: 7.242; 7.991; 8.38; 61.98; 63.4; 82.09;

COD ID: 2101282
CIF file Original IUCr paper	Formula: - C8 H12 N2 O2 - Comments: Suwinska, K. Structure and thermochemical properties of some alkyluracils Acta Crystallographica Section B 51(2) (1995) 248-254 Space group: P 1 21/n 1 Cell volume: 844.4 Cell parameters: 4.107; 9.806; 20.994; 90; 92.97; 90;

COD ID: 2101283
CIF file Original IUCr paper	Formula: - C9 H14 N2 O2 - Comments: Suwinska, K. Structure and thermochemical properties of some alkyluracils Acta Crystallographica Section B 51(2) (1995) 248-254 Space group: P 1 21/c 1 Cell volume: 2904.9 Cell parameters: 10.738; 11.735; 23.056; 90; 90.91; 90;

COD ID: 2101284
CIF file Original IUCr paper	Formula: - C10 H16 N2 O2 - Comments: Suwinska, K. Structure and thermochemical properties of some alkyluracils Acta Crystallographica Section B 51(2) (1995) 248-254 Space group: P 1 21/c 1 Cell volume: 2103.5 Cell parameters: 9.441; 12.086; 18.751; 90; 100.53; 90;

COD ID: 2101285

CIF file

Original IUCr paper

Formula: - C11 H14 N2 O3 -
Comments: Fkyerat, A.; Guelzim, A.; Baert, E.; Paulus, W.; Heger, G.; Zyss, J.; Périgaud, A. Electron density study by X-ray and neutron diffraction of an NLO compound: N-(4-nitrophenyl)-L-prolinol. Description of quadratic hyperpolarizability Acta Crystallographica Section B 51(2) (1995) 197-209
Space group: P 1 21 1
Cell volume: 522.18
Cell parameters: 5.152; 14.79; 7.134; 90; 106.14; 90;

COD ID: 2101286

CIF file

Original IUCr paper

Formula: - C11 H14 N2 O3 -
Comments: Fkyerat, A.; Guelzim, A.; Baert, E.; Paulus, W.; Heger, G.; Zyss, J.; Périgaud, A. Electron density study by X-ray and neutron diffraction of an NLO compound: N-(4-nitrophenyl)-L-prolinol. Description of quadratic hyperpolarizability Acta Crystallographica Section B 51(2) (1995) 197-209
Space group: P 1 21 1
Cell volume: 522.4
Cell parameters: 5.164; 14.796; 7.108; 90; 105.86; 90;

COD ID: 2101287

COD ID: 2101288

Formula: - C5 H30 Bi2 Cl11 N5 -
Comments: Carpentier, P.; Lefebvre, J.; Jakubas, R. Structure of pentakis(methylammonium) undecachlorodibismuthate(III), [NH~3~(CH~3~)]~5~Bi~2~Cl~11~, at 130 K and mechanism of the phase transitions Acta Crystallographica Section B 51(2) (1995) 167-174
Space group: P 1 1 21
Cell volume: 2699.1
Cell parameters: 12.88; 13.916; 15.059; 90; 90; 90.13;

COD ID: 2101289
CIF file Original IUCr paper	Formula: - C56 H88 S4 - Comments: Luzny, W. X-ray diffraction and computer modelling study of the structure and conformation of poly(3-decylthiophene) Acta Crystallographica Section B 51(2) (1995) 255-260 Space group: P 1 Cell volume: 1416.79 Cell parameters: 23.9; 15.6; 3.8; 90; 90; 90;

COD ID: 2101290
CIF file Original IUCr paper	Formula: - C36 H52 Cl6 In N3 O14 - Comments: Spengler, R.; Lange, J.; Zimmermann, H.; Burzlaff, H.; Veltsistas, P. G.; Karayannis, M. I. Structure of C~36~H~52~Cl~6~InN~3~O~14~ Acta Crystallographica Section B 51(2) (1995) 174-177 Space group: P b c n Cell volume: 4678.8 Cell parameters: 26.639; 16.667; 10.538; 90; 90; 90;

COD ID: 2101291

CIF file

Original IUCr paper

Formula: - C6 H12 O6 -
Comments: Kouwijzer, M. L. C. E.; van Eijck, B. P.; Kooijman, H.; Kroon, J. An extension of the GROMOS force field for carbohydrates, resulting in improvement of the crystal structure determination of α-D-galactose Acta Crystallographica Section B 51(2) (1995) 209-220
Space group: P 21 21 21
Cell volume: 725.8
Cell parameters: 5.8999; 7.8433; 15.685; 90; 90; 90;

COD ID: 2101292

CIF file

Original IUCr paper

Formula: - C6 H12 O6 -
Comments: Kouwijzer, M. L. C. E.; van Eijck, B. P.; Kooijman, H.; Kroon, J. An extension of the GROMOS force field for carbohydrates, resulting in improvement of the crystal structure determination of α-D-galactose Acta Crystallographica Section B 51(2) (1995) 209-220
Space group: P 21 21 21
Cell volume: 756.2
Cell parameters: 6.5949; 9.014; 12.72; 90; 90; 90;

COD ID: 2101293
CIF file Original IUCr paper	Formula: - Cl6 N2 O2 P2 S - Comments: Belaj, F. Structure and thermal motion of sulfonylbis(phosphorimidic trichloride), So~2~(NPCl~3~)~2~ at 100 K Acta Crystallographica Section B 51(2) (1995) 161-166 Space group: P 1 21/c 1 Cell volume: 1131.4 Cell parameters: 11.843; 7.751; 12.374; 90; 95.11; 90;

COD ID: 2101294

CIF file

Original IUCr paper

Formula: - C25 H20 O -
Comments: Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J. Hydrogen bonding in diphenylmethanols, RCPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol Acta Crystallographica Section B 51(3) (1995) 367-377
Space group: P 21 21 21
Cell volume: 1811
Cell parameters: 8.358; 13.8976; 15.5915; 90; 90; 90;

COD ID: 2101295

CIF file

Original IUCr paper

Formula: - C18 H15 N O -
Comments: Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J. Hydrogen bonding in diphenylmethanols, RCPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol Acta Crystallographica Section B 51(3) (1995) 367-377
Space group: P 1 21/c 1
Cell volume: 1403.5
Cell parameters: 8.1899; 14.855; 11.6069; 90; 96.344; 90;

COD ID: 2101296

CIF file

Original IUCr paper

Formula: - C21 H16 O -
Comments: Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J. Hydrogen bonding in diphenylmethanols, RCPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol Acta Crystallographica Section B 51(3) (1995) 367-377
Space group: P 1 21/c 1
Cell volume: 1571.9
Cell parameters: 5.9794; 9.953; 26.42; 90; 91.365; 90;

COD ID: 2101297

CIF file

Original IUCr paper

Formula: - C16 H18 O -
Comments: Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J. Hydrogen bonding in diphenylmethanols, RCPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol Acta Crystallographica Section B 51(3) (1995) 367-377
Space group: P 3 1 c
Cell volume: 2018
Cell parameters: 13.9232; 13.9232; 12.02; 90; 90; 120;

COD ID: 2101298

CIF file

Original IUCr paper

Formula: - C13 H2 F10 O -
Comments: Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J. Hydrogen bonding in diphenylmethanols, RCPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol Acta Crystallographica Section B 51(3) (1995) 367-377
Space group: R -3 :H
Cell volume: 5780
Cell parameters: 26.113; 26.113; 9.788; 90; 90; 120;

COD ID: 2101299

CIF file

Original IUCr paper

Formula: - C13 H2 F10 O -
Comments: Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J. Hydrogen bonding in diphenylmethanols, RCPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol Acta Crystallographica Section B 51(3) (1995) 367-377
Space group: R -3 :H
Cell volume: 5619.3
Cell parameters: 26.006; 26.006; 9.5941; 90; 90; 120;

COD ID: 2101300

CIF file

Original IUCr paper

Formula: - C13 H12 O -
Comments: Ferguson, George; Carrol, Christopher D.; Glidewell, Christopher; Zakaria, Choudhury, M.; Lough, Alan, J. Hydrogen bonding in diphenylmethanols, RCPh~2~OH: structures of monomeric (4-biphenyl)diphenylmethanol and diphenyl(2-pyridyl)methanol, dimeric 1,1,3-triphenylpropyn-1-ol, trimeric 2-methyl-1,1-diphenylpropan-1-ol, tetrameric diphenyl(2-thienyl)methanol, hexameric bis(pentafluorophenyl)methanol (at 293 and 173 K) and polymeric diphenylmethanol Acta Crystallographica Section B 51(3) (1995) 367-377
Space group: P 2 21 21
Cell volume: 2025.2
Cell parameters: 5.13; 18.65; 21.168; 90; 90; 90;

COD ID: 2101301
CIF file Original IUCr paper	Formula: - C9 H9 Cl O3 - Comments: Larsen, S.; Marthi, K. Structures of racemic halogen-substituted 3-hydroxy-3-phenylpropionic acids; relations between spontaneously resolved and racemic compounds Acta Crystallographica Section B 51(3) (1995) 338-346 Space group: P 1 21/c 1 Cell volume: 918.4 Cell parameters: 15.301; 5.7117; 11.2462; 90; 110.873; 90;

COD ID: 2101302
CIF file Original IUCr paper	Formula: - C9 H9 Br O3 - Comments: Larsen, S.; Marthi, K. Structures of racemic halogen-substituted 3-hydroxy-3-phenylpropionic acids; relations between spontaneously resolved and racemic compounds Acta Crystallographica Section B 51(3) (1995) 338-346 Space group: P 1 21/c 1 Cell volume: 938.4 Cell parameters: 15.498; 5.7513; 11.298; 90; 111.28; 90;

COD ID: 2101303

CIF file

Original IUCr paper

Formula: - C7 H16 N2 O4 -
Comments: Suresh, S.; Vijayan, M. X-ray studies on crystalline complexes involving amino acids and peptides. XXVIII. Recurrence of characteristic aggregation and interaction patterns in the crystal structures of DL- and L-lysine formate Acta Crystallographica Section B 51(3) (1995) 353-358
Space group: P 1 21 1
Cell volume: 494.8
Cell parameters: 5.431; 7.546; 12.095; 90; 93.42; 90;

COD ID: 2101304

CIF file

Original IUCr paper

Formula: - C7 H16 N2 O4 -
Comments: Suresh, S.; Vijayan, M. X-ray studies on crystalline complexes involving amino acids and peptides. XXVIII. Recurrence of characteristic aggregation and interaction patterns in the crystal structures of DL- and L-lysine formate Acta Crystallographica Section B 51(3) (1995) 353-358
Space group: P 1 21/c 1
Cell volume: 956.9
Cell parameters: 10.205; 11.152; 8.481; 90; 97.51; 90;

COD ID: 2101305
CIF file Original IUCr paper	Formula: - C9 H11 N O4 - Comments: Howard, S. T.; Hursthouse, M. B.; Lehmann, C. W.; Poyner, E. A. Experimental and theoretical determination of electronic properties in <small>L</small>-dopa Acta Crystallographica Section B 51(3) (1995) 328-337 Space group: P 1 21 1 Cell volume: 428.2 Cell parameters: 13.619; 5.232; 6.062; 90; 97.56; 90;

COD ID: 2101306
CIF file Original IUCr paper	Formula: - Al2 O4 Pb - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: A m a 2 Cell volume: 395.973 Cell parameters: 8.458; 9.234; 5.07; 90; 90; 90;

COD ID: 2101307
CIF file Original IUCr paper	Formula: - Ga2 O4 Pb - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: A m a 2 Cell volume: 421.832 Cell parameters: 8.575; 9.424; 5.22; 90; 90; 90;

COD ID: 2101308
CIF file Original IUCr paper	Formula: - C45 H86 Br10 In4 N4 Ni6 O11 - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: C 1 2/c 1 Cell volume: 7687.58 Cell parameters: 22.869; 13.198; 26.775; 90; 107.96; 90;

COD ID: 2101309
CIF file Original IUCr paper	Formula: - H9.5 K2.5 O26 Pt W6 - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: C 1 2/m 1 Cell volume: 3038.1 Cell parameters: 11.427; 19.832; 13.674; 89.99; 101.36; 89.99;

COD ID: 2101310
CIF file Original IUCr paper	Formula: - C14 H26 Cu N2 O9 - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: P 43 21 2 Cell volume: 1799.7 Cell parameters: 7.217; 7.217; 34.553; 90; 90; 90;

COD ID: 2101311
CIF file Original IUCr paper	Formula: - C6 H16 Co N5 O7 - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: A m a 2 Cell volume: 1197.86 Cell parameters: 12.717; 12.206; 7.717; 90; 90; 90;

COD ID: 2101312
CIF file Original IUCr paper	Formula: - C6 H10 Cl2 N3 Ni O14 - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: P n m a Cell volume: 3281 Cell parameters: 25.735; 11.124; 11.461; 90; 90; 90;

COD ID: 2101313
CIF file Original IUCr paper	Formula: - Ba2 H24 O28 P8 Pt2 - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: P 1 21/c 1 Cell volume: 1422.8 Cell parameters: 9.5452; 19.459; 7.6611; 90; 90.758; 90;

COD ID: 2101314
CIF file Original IUCr paper	Formula: - Ba3 P4 Sn2 - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: P 1 21/c 1 Cell volume: 1102.8 Cell parameters: 7.886; 19.278; 7.869; 90; 112.8; 90;

COD ID: 2101315
CIF file Original IUCr paper	Formula: - C14 H25 Cu N3 O16 - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: P -1 Cell volume: 972.12 Cell parameters: 10.593; 12.454; 7.923; 102.64; 107.4; 83.68;

COD ID: 2101316
CIF file Original IUCr paper	Formula: - Cs6 O36 W11 - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: R -3 c :H Cell volume: 5048.94 Cell parameters: 7.261; 7.261; 110.58; 90; 90; 120;

COD ID: 2101317
CIF file Original IUCr paper	Formula: - Cs6 O36 W11 - Comments: Marsh, R. E.; Bernal, I. More space-group changes Acta Crystallographica Section B 51(3) (1995) 300-307 Space group: R -3 cr {rhombohedral axes} Cell volume: 51052.4 Cell parameters: 37.097; 37.097; 37.097; 90; 90; 90;

COD ID: 2101318
CIF file Original IUCr paper	Formula: - K2 O4 S - Comments: Ojima, K.; Nishihata, Y.; Sawada, A. Structure of potassium sulfate at temperatures from 296 K down to 15 K Acta Crystallographica, Section B: Structural Science 51(3) (1995) 287-293 Space group: P m c n Cell volume: 434.56 Cell parameters: 5.7704; 10.0712; 7.4776; 90; 90; 90;

COD ID: 2101319
CIF file Original IUCr paper	Formula: - K2 O4 S - Comments: Ojima, K.; Nishihata, Y.; Sawada, A. Structure of potassium sulfate at temperatures from 296 K down to 15 K Acta Crystallographica, Section B: Structural Science 51(3) (1995) 287-293 Space group: P m c n Cell volume: 430.16 Cell parameters: 5.7503; 10.0395; 7.4513; 90; 90; 90;

COD ID: 2101320
CIF file Original IUCr paper	Formula: - K2 O4 S - Comments: Ojima, K.; Nishihata, Y.; Sawada, A. Structure of potassium sulfate at temperatures from 296 K down to 15 K Acta Crystallographica, Section B: Structural Science 51(3) (1995) 287-293 Space group: P m c n Cell volume: 426.14 Cell parameters: 5.7303; 10.01; 7.4291; 90; 90; 90;

COD ID: 2101321
CIF file Original IUCr paper	Formula: - K2 O4 S - Comments: Ojima, K.; Nishihata, Y.; Sawada, A. Structure of potassium sulfate at temperatures from 296 K down to 15 K Acta Crystallographica, Section B: Structural Science 51(3) (1995) 287-293 Space group: P m c n Cell volume: 424.73 Cell parameters: 5.7224; 10; 7.4226; 90; 90; 90;

COD ID: 2101322
CIF file Original IUCr paper	Formula: - K2 O4 S - Comments: Ojima, K.; Nishihata, Y.; Sawada, A. Structure of potassium sulfate at temperatures from 296 K down to 15 K Acta Crystallographica, Section B: Structural Science 51(3) (1995) 287-293 Space group: P m c n Cell volume: 424.66 Cell parameters: 5.7226; 9.9985; 7.4218; 90; 90; 90;

COD ID: 2101323

CIF file

Original IUCr paper

Formula: - C30 H42 Ag N3 O8 -
Comments: Andrianatoandro, H.; Barrans, Y.; Marsau, P.; Desvergne, J.-P.; Fages, F.; Bouas-Laurent, H. Two 9,10-anthracenocryptand silver(I) nitrate complexes. Fluorescence modulated by Ag^+^ as a function of the geometry of the complex Acta Crystallographica Section B 51(3) (1995) 293-300
Space group: P 1 21/c 1
Cell volume: 2970.6
Cell parameters: 10.479; 15.751; 19.177; 90; 110.2; 90;

COD ID: 2101324

CIF file

Original IUCr paper

Formula: - C32 H45 Ag N3 O7.5 -
Comments: Andrianatoandro, H.; Barrans, Y.; Marsau, P.; Desvergne, J.-P.; Fages, F.; Bouas-Laurent, H. Two 9,10-anthracenocryptand silver(I) nitrate complexes. Fluorescence modulated by Ag^+^ as a function of the geometry of the complex Acta Crystallographica Section B 51(3) (1995) 293-300
Space group: C 1 2/c 1
Cell volume: 13081.3
Cell parameters: 34.545; 10.035; 38.188; 90; 98.83; 90;

COD ID: 2101325
CIF file Original IUCr paper	Formula: - C31 H23 Cl O13 - Comments: Prangé, T.; Neuman, A.; Milat, M.-L.; Blein, J. P. The yellow toxins produced by <i>Cercospora beticola</i>. V. Structure of beticolins 2 and 4 Acta Crystallographica Section B 51(3) (1995) 308-314 Space group: P 21 21 21 Cell volume: 3140.6 Cell parameters: 20.23; 18.921; 8.205; 90; 90; 90;

COD ID: 2101326
CIF file Original IUCr paper	Formula: - C31 H23 Cl O14 - Comments: Prangé, T.; Neuman, A.; Milat, M.-L.; Blein, J. P. The yellow toxins produced by <i>Cercospora beticola</i>. V. Structure of beticolins 2 and 4 Acta Crystallographica Section B 51(3) (1995) 308-314 Space group: P 21 21 21 Cell volume: 3162.4 Cell parameters: 20.585; 18.721; 8.206; 90; 90; 90;

COD ID: 2101327

CIF file

Original IUCr paper

Formula: - C46 H80 N4 O14 -
Comments: Sheldrick, G. M.; Kojić-Prodić, B.; Banić, Z.; Kobrehel, G.; Kujundzić, N. Structure of 9-deoxo-9a-N-[N'-(4-pyridyl)-carbamoyl]-9a-aza-9a-homoerythromycin A and conformational analysis of analogous 9a-aza 15-membered azalides in the solid state Acta Crystallographica Section B 51(3) (1995) 358-366
Space group: P 1
Cell volume: 2489
Cell parameters: 10.3796; 14.5809; 17.1521; 105.225; 96.14; 90.248;

COD ID: 2101328

CIF file

Original IUCr paper

Formula: - B17 Be N2 -
Comments: Iversen, B. B.; Larsen, F. K.; Souhassou, M.; Takata, M. Experimental evidence for the existence of non-nuclear maxima in the electron-density distribution of metallic beryllium. A comparative study of the maximum entropy method and the multipole refinement method Acta Crystallographica Section B 51(4) (1995) 580-591
Space group: P 63/m m c
Cell volume: 16.211
Cell parameters: 2.2853; 2.2853; 3.5842; 90; 90; 120;

COD ID: 2101329
CIF file Original IUCr paper	Formula: - C16 H10 O2 - Comments: Destro, R.; Merati, F. Bond lengths, and beyond Acta Crystallographica Section B 51(4) (1995) 559-570 Space group: P 1 21/n 1 Cell volume: 1102.9 Cell parameters: 9.048; 12.6658; 9.6516; 90; 94.344; 90;

COD ID: 2101330

CIF file

Original IUCr paper

Formula: - C16 H24 Br2 N2 O3 -
Comments: Stensland, B.; Csöregh, I.; Högberg, T. Conformation of the two potential antipsychotic agents (‒)-(S)-3-bromo-5,6-dimethoxy-N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide, FLB 457, and its 2-hydroxy analogue, FLB 463 Acta Crystallographica Section B 51(5) (1995) 847-856
Space group: P 21 21 21
Cell volume: 1917.4
Cell parameters: 28.9; 8.747; 7.585; 90; 90; 90;

COD ID: 2101331

CIF file

Original IUCr paper

Formula: - C17 H27 Br N2 O7 S -
Comments: Stensland, B.; Csöregh, I.; Högberg, T. Conformation of the two potential antipsychotic agents (‒)-(S)-3-bromo-5,6-dimethoxy-N-[(1-ethyl-2-pyrrolidinyl)methyl]benzamide, FLB 457, and its 2-hydroxy analogue, FLB 463 Acta Crystallographica Section B 51(5) (1995) 847-856
Space group: P 1 21 1
Cell volume: 1052.4
Cell parameters: 15.264; 8.087; 8.541; 90; 93.44; 90;

COD ID: 2101332
CIF file Original IUCr paper	Formula: - C7 H7 N O - Comments: Ruble, J. R.; Galvao, A. Electrostatic potentials from charge-density studies of benzamide at 123 K Acta Crystallographica Section B 51(5) (1995) 835-838 Space group: P 1 21/c 1 Cell volume: 601.7 Cell parameters: 5.549; 5.033; 21.548; 90; 89.22; 90;

COD ID: 2101333
CIF file Original IUCr paper	Formula: - C22 H16 Ag N2 O8 S8 - Comments: Li, R.; Petrícek, V.; Cisarova, I.; Coppens, P. Analysis of the diffraction pattern of a twinned crystal of (3,4;3',4'-bis(ethylenedioxo)-2,2',5,5'-tetrathiafulvalene)~2~.Ag(CN)~2~ Acta Crystallographica Section B 51(5) (1995) 798-802 Space group: P -1 Cell volume: 677.3 Cell parameters: 4.0355; 16.7566; 10.2335; 82.49; 81.12; 91.1;

COD ID: 2101334

CIF file

Original IUCr paper

Formula: - C26 H19 Cl3 Cu F12 S16 -
Comments: Geiser, U.; Schlueter, J. A.; Williams, J. M.; Naumann, D.; Roy, T. Anion disorder in the 115–118 K structures of the organic superconductors κ~L~-(BEDT-TTF)~2~Cu(CF~3~)~4~(C~2~H~3~Cl~3~) and κ~L~-(BEDT-TTF)~2~Ag(CF~3~)~4~(C~2~H~3~Cl~3~) [BEDT-TTF=3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene] Acta Crystallographica Section B 51(5) (1995) 789-797
Space group: P n m a
Cell volume: 4155.1
Cell parameters: 12.918; 37.899; 8.487; 90; 90; 90;

COD ID: 2101335

CIF file

Original IUCr paper

Formula: - C26 H19 Ag Cl3 F12 S16 -
Comments: Geiser, U.; Schlueter, J. A.; Williams, J. M.; Naumann, D.; Roy, T. Anion disorder in the 115–118 K structures of the organic superconductors κ~L~-(BEDT-TTF)~2~Cu(CF~3~)~4~(C~2~H~3~Cl~3~) and κ~L~-(BEDT-TTF)~2~Ag(CF~3~)~4~(C~2~H~3~Cl~3~) [BEDT-TTF=3,4;3',4'-bis(ethylenedithio)-2,2',5,5'-tetrathiafulvalene] Acta Crystallographica Section B 51(5) (1995) 789-797
Space group: P n m a
Cell volume: 4188.5
Cell parameters: 12.936; 37.976; 8.526; 90; 90; 90;

COD ID: 2101336
CIF file Original IUCr paper	Formula: - C24 H38 I6 N6 - Comments: Bailey, R. D.; Pennington, W. T. Tetramethylpyrazinium polyiodides Acta Crystallographica Section B 51(5) (1995) 810-815 Space group: P -1 Cell volume: 920.3 Cell parameters: 8.226; 8.393; 13.878; 85.28; 74.54; 87.96;

COD ID: 2101337
CIF file Original IUCr paper	Formula: - C30 H40 I6 N4 O4 - Comments: Bailey, R. D.; Pennington, W. T. Tetramethylpyrazinium polyiodides Acta Crystallographica Section B 51(5) (1995) 810-815 Space group: P 1 21/n 1 Cell volume: 1018.1 Cell parameters: 7.679; 12.52; 10.774; 90; 100.6; 90;

COD ID: 2101338
CIF file Original IUCr paper	Formula: - C8 H15 I5 N2 O - Comments: Bailey, R. D.; Pennington, W. T. Tetramethylpyrazinium polyiodides Acta Crystallographica Section B 51(5) (1995) 810-815 Space group: P -1 Cell volume: 941.3 Cell parameters: 8.206; 9.228; 13.936; 77.76; 85.23; 65.88;

COD ID: 2101339
CIF file Original IUCr paper	Formula: - C17 H26 Cl N O3 - Comments: Sui, X.; Codding, P. W. Structural and molecular modeling study of mono(pyrrolidiniomethyl)phenylacetate antiarrhythmic agents Acta Crystallographica Section B 51(5) (1995) 803-810 Space group: P 1 21/n 1 Cell volume: 3629.4 Cell parameters: 16.763; 10.1619; 21.503; 90; 97.758; 90;

COD ID: 2101340
CIF file Original IUCr paper	Formula: - C22 H26 Cl N O5 - Comments: Sui, X.; Codding, P. W. Structural and molecular modeling study of mono(pyrrolidiniomethyl)phenylacetate antiarrhythmic agents Acta Crystallographica Section B 51(5) (1995) 803-810 Space group: P 1 21/c 1 Cell volume: 2110.7 Cell parameters: 15.684; 6.4228; 22.249; 90; 109.656; 90;

COD ID: 2101341
CIF file Original IUCr paper	Formula: - C24 H27 N O8 - Comments: Sui, X.; Codding, P. W. Structural and molecular modeling study of mono(pyrrolidiniomethyl)phenylacetate antiarrhythmic agents Acta Crystallographica Section B 51(5) (1995) 803-810 Space group: P -1 Cell volume: 1136.58 Cell parameters: 8.3651; 25.628; 5.589; 95.447; 106.614; 82.653;

COD ID: 2101342
CIF file Original IUCr paper	Formula: - H3 O4 P - Comments: Moss, G. R.; Souhassou, M.; Blessing, R. H.; Espinosa, E.; Lecomte, C. Computational studies of crystalline H~3~PO~4~ Acta Crystallographica Section B 51(5) (1995) 650-660 Space group: P 1 21/c 1 Cell volume: 322.4 Cell parameters: 5.779; 4.826; 11.61; 90; 95.26; 90;

COD ID: 2101343
CIF file Original IUCr paper	Formula: - H3 O4 P - Comments: Souhassou, M.; Espinosa, E.; Lecomte, C.; Blessing, R. H. Experimental electron density in crystalline H~3~PO~4~ Acta Crystallographica Section B 51(5) (1995) 661-668 Space group: P 1 21/c 1 Cell volume: 320.55 Cell parameters: 5.7572; 4.831; 11.574; 90; 95.274; 90;

COD ID: 2101344
CIF file Original IUCr paper	Formula: - Ca Mg O4 Si - Comments: Pilati, T.; Demartin, F.; Gramaccioli, C. M. Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields Acta Crystallographica Section B 51(5) (1995) 721-733 Space group: P n m a Cell volume: 342.72 Cell parameters: 11.1098; 6.3894; 4.8281; 90; 90; 90;

COD ID: 2101345

CIF file

Original IUCr paper

Formula: - C38 H31 O5 P -
Comments: Jones, R.; Liu, Z.; Scheffer, J. R.; Trotter, J. Crystal structures and photochemistry of triphenylphosphine oxide complexes of ethyl hydrogen 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B 51(5) (1995) 888-892
Space group: P -1
Cell volume: 1549.6
Cell parameters: 13.501; 14.845; 8.519; 102.21; 98.68; 68.7;

COD ID: 2101346

CIF file

Original IUCr paper

Formula: - C41.5 H35 O5 P -
Comments: Jones, R.; Liu, Z.; Scheffer, J. R.; Trotter, J. Crystal structures and photochemistry of triphenylphosphine oxide complexes of ethyl hydrogen 9,10-dihydro-9,10-ethenoanthracene-11,12-dicarboxylate Acta Crystallographica Section B 51(5) (1995) 888-892
Space group: P 1 21/n 1
Cell volume: 3417.4
Cell parameters: 8.546; 28.164; 14.368; 90; 98.81; 90;

COD ID: 2101347
CIF file Original IUCr paper	Formula: - Mg O6 Pb2 W - Comments: Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D. Crystal structure of the antiferroelectric perovskite Pb~2~MgWO~6~ Acta Crystallographica Section B 51(5) (1995) 668-673 Space group: P m c n Cell volume: 515.3 Cell parameters: 7.944; 5.6866; 11.4059; 90; 90; 90;

COD ID: 2101348
CIF file Original IUCr paper	Formula: - Mg O6 Pb2 W - Comments: Baldinozzi, G.; Sciau, Ph.; Pinot, M.; Grebille, D. Crystal structure of the antiferroelectric perovskite Pb~2~MgWO~6~ Acta Crystallographica Section B 51(5) (1995) 668-673 Space group: P m c n Cell volume: 515.9 Cell parameters: 7.9041; 5.7035; 11.4442; 90; 90; 90;

COD ID: 2101349
CIF file Original IUCr paper	Formula: - Na3 O15 Si6 Y - Comments: Haile, S. M.; Maier, J.; Wuensch, B. J.; Laudise, R. A. Structure of Na~3~YSi~6~O~15~ ‒ a unique silicate based on discrete Si~6~O~15~ units, and a possible fast-ion conductor Acta Crystallographica Section B 51(5) (1995) 673-680 Space group: I b m m Cell volume: 1338.3 Cell parameters: 10.468; 15.247; 8.385; 90; 90; 90;

COD ID: 2101350

CIF file

Original IUCr paper

Formula: - C14 H19 I O4 -
Comments: Le Texier, L.; Favre, E.; Godfroid, J.-J.; Halut-Desportes, S. Structure of 5-(3,4,5-trimethoxyphenyl)-2-iodomethyltetrahydrofuran: a precursor of acetylcholinesterase inhibitors with platelet-activating factor antagonistic activity Acta Crystallographica Section B 51(5) (1995) 863-867
Space group: P 1 21/n 1
Cell volume: 1489.3
Cell parameters: 7.686; 8.113; 24.249; 90; 99.96; 90;

COD ID: 2101351
CIF file Original IUCr paper	Formula: - Cs3 H4 O12 P S2 - Comments: Haile, S. M.; Kreuer, K.-D.; Maier, J. Structure of Cs~3~(HSO~4~)~2~(H~2~PO~4~) – a new compound with a superprotonic phase transition Acta Crystallographica Section B 51(5) (1995) 680-687 Space group: P 1 21/n 1 Cell volume: 1390.9 Cell parameters: 19.546; 7.8798; 9.1854; 90; 100.536; 90;

COD ID: 2101352

CIF file

Original IUCr paper

Formula: - C16 H22 N2 -
Comments: Sheikh-Ali, B. M.; Rapta, M.; Jameson, G. B.; Weiss, R. G. Molecular conformations and crystal packing properties of five 4-alkyl-N-(4-cyanophenyl)piperidines by X-ray diffraction: a surprising dependence upon alkyl chain length Acta Crystallographica Section B 51(5) (1995) 823-835
Space group: P 1 21 1
Cell volume: 2901.7
Cell parameters: 8.317; 17.435; 20.011; 90; 90.43; 90;

COD ID: 2101353

CIF file

Original IUCr paper

Formula: - C17 H24 N2 -
Comments: Sheikh-Ali, B. M.; Rapta, M.; Jameson, G. B.; Weiss, R. G. Molecular conformations and crystal packing properties of five 4-alkyl-N-(4-cyanophenyl)piperidines by X-ray diffraction: a surprising dependence upon alkyl chain length Acta Crystallographica Section B 51(5) (1995) 823-835
Space group: P 1 21/c 1
Cell volume: 3086.5
Cell parameters: 9.065; 9.75; 35.191; 90; 97.1; 90;

COD ID: 2101354

CIF file

Original IUCr paper

Formula: - C18 H26 N2 -
Comments: Sheikh-Ali, B. M.; Rapta, M.; Jameson, G. B.; Weiss, R. G. Molecular conformations and crystal packing properties of five 4-alkyl-N-(4-cyanophenyl)piperidines by X-ray diffraction: a surprising dependence upon alkyl chain length Acta Crystallographica Section B 51(5) (1995) 823-835
Space group: P -1
Cell volume: 808.2
Cell parameters: 6.369; 9.071; 14.682; 106.69; 93.69; 93.33;

COD ID: 2101355

CIF file

Original IUCr paper

Formula: - C19 H28 N2 -
Comments: Sheikh-Ali, B. M.; Rapta, M.; Jameson, G. B.; Weiss, R. G. Molecular conformations and crystal packing properties of five 4-alkyl-N-(4-cyanophenyl)piperidines by X-ray diffraction: a surprising dependence upon alkyl chain length Acta Crystallographica Section B 51(5) (1995) 823-835
Space group: P -1
Cell volume: 3432.6
Cell parameters: 11.061; 15.69; 21.641; 106.06; 101.27; 100.13;

COD ID: 2101356

CIF file

Original IUCr paper

Formula: - C20 H30 N2 -
Comments: Sheikh-Ali, B. M.; Rapta, M.; Jameson, G. B.; Weiss, R. G. Molecular conformations and crystal packing properties of five 4-alkyl-N-(4-cyanophenyl)piperidines by X-ray diffraction: a surprising dependence upon alkyl chain length Acta Crystallographica Section B 51(5) (1995) 823-835
Space group: P 1 21/c 1
Cell volume: 1857.2
Cell parameters: 12.331; 11.086; 13.929; 90; 102.74; 90;

COD ID: 2101357
CIF file Original IUCr paper	Formula: - C13 H8 Cl2 O - Comments: Zúñiga, F. J.; Criado, A. Structure at 140 K, lattice dynamics and phase transition of 4,4'-dichlorobenzophenone Acta Crystallographica Section B 51(5) (1995) 880-888 Space group: I 1 2/c 1 Cell volume: 1103.6 Cell parameters: 24.62; 6.091; 7.476; 90; 100.14; 90;

COD ID: 2101358
CIF file Original IUCr paper	Formula: - C31 H23 N O2 - Comments: Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I. Structure, solid-state photochemistry and reactivity in asymmetric synthesis of 3,4-bis(diphenylmethylene)-<i>N</i>-methylsuccinimide Acta Crystallographica Section B 51(5) (1995) 856-863 Space group: P 1 21 1 Cell volume: 1183.6 Cell parameters: 11.64; 9.257; 12.103; 90; 114.83; 90;

COD ID: 2101359
CIF file Original IUCr paper	Formula: - C31 H23 N O2 - Comments: Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I. Structure, solid-state photochemistry and reactivity in asymmetric synthesis of 3,4-bis(diphenylmethylene)-<i>N</i>-methylsuccinimide Acta Crystallographica Section B 51(5) (1995) 856-863 Space group: P b c n Cell volume: 2337 Cell parameters: 9.964; 20.181; 11.622; 90; 90; 90;

COD ID: 2101360
CIF file Original IUCr paper	Formula: - C31 H23 N O2 - Comments: Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I. Structure, solid-state photochemistry and reactivity in asymmetric synthesis of 3,4-bis(diphenylmethylene)-<i>N</i>-methylsuccinimide Acta Crystallographica Section B 51(5) (1995) 856-863 Space group: P 1 21/n 1 Cell volume: 2369.9 Cell parameters: 9.485; 11.014; 22.945; 90; 98.62; 90;

COD ID: 2101361
CIF file Original IUCr paper	Formula: - C5 H12 O4 - Comments: Katrusiak, A. High-pressure X-ray diffraction study of pentaerythritol Acta Crystallographica Section B 51(5) (1995) 873-879 Space group: I -4 Cell volume: 299.33 Cell parameters: 6.0173; 6.0173; 8.267; 90; 90; 90;

COD ID: 2101362

CIF file

Original IUCr paper

Formula: - C28.5 H13 Cl Co N4 S4 -
Comments: Lam, E. J. W.; Beurskens, P. T.; Smits, J. M. M.; van Smaalen, S.; de Boer, J. L.; Fan, H.-F. Determination of the incommensurately modulated structure of (perylene)Co(mnt)~2~(CH~2~Cl~2~)~0.5~ by direct methods Acta Crystallographica Section B 51(5) (1995) 779-789
Space group: P -1
Cell volume: 1248.6
Cell parameters: 6.5441; 11.7173; 16.4251; 92.092; 95.343; 94.67;

COD ID: 2101363
CIF file Original IUCr paper	Formula: - Al2 Be3 H2 Na O19 Si6 - Comments: Artioli, G.; Rinaldi, R.; Wilson, C. C.; Zanazzi, P. F. Single-crystal pulsed neutron diffraction of a highly hydrous beryl Acta Crystallographica Section B 51(5) (1995) 733-737 Space group: P 6/m c c Cell volume: 685.5 Cell parameters: 9.278; 9.278; 9.195; 90; 90; 120;

COD ID: 2101364

CIF file

Original IUCr paper

Formula: - Fe5 O12 Y3 -
Comments: Nakatsuka, A.; Yoshiasa, A.; Takeno, S. Site preference of cations and structural variation in Y~3~Fe~5{-~x}Ga~x~O~12~ (0 {łeq} x {łeq} 5) solid solutions with garnet structure Acta Crystallographica Section B 51(5) (1995) 737-745
Space group: I a -3 d
Cell volume: 1895.1
Cell parameters: 12.375; 12.375; 12.375; 90; 90; 90;

COD ID: 2101365

CIF file

Original IUCr paper

Formula: - Fe4 Ga O12 Y3 -
Comments: Nakatsuka, A.; Yoshiasa, A.; Takeno, S. Site preference of cations and structural variation in Y~3~Fe~5{-~x}Ga~x~O~12~ (0 {łeq} x {łeq} 5) solid solutions with garnet structure Acta Crystallographica Section B 51(5) (1995) 737-745
Space group: I a -3 d
Cell volume: 1888.2
Cell parameters: 12.36; 12.36; 12.36; 90; 90; 90;

COD ID: 2101366

CIF file

Original IUCr paper

Formula: - Fe3.4 Ga1.6 O12 Y3 -
Comments: Nakatsuka, A.; Yoshiasa, A.; Takeno, S. Site preference of cations and structural variation in Y~3~Fe~5{-~x}Ga~x~O~12~ (0 {łeq} x {łeq} 5) solid solutions with garnet structure Acta Crystallographica Section B 51(5) (1995) 737-745
Space group: I a -3 d
Cell volume: 1884.1
Cell parameters: 12.351; 12.351; 12.351; 90; 90; 90;

COD ID: 2101367

CIF file

Original IUCr paper

Formula: - Fe3 Ga2 O12 Y3 -
Comments: Nakatsuka, A.; Yoshiasa, A.; Takeno, S. Site preference of cations and structural variation in Y~3~Fe~5{-~x}Ga~x~O~12~ (0 {łeq} x {łeq} 5) solid solutions with garnet structure Acta Crystallographica Section B 51(5) (1995) 737-745
Space group: I a -3 d
Cell volume: 1880
Cell parameters: 12.342; 12.342; 12.342; 90; 90; 90;

COD ID: 2101368

CIF file

Original IUCr paper

Formula: - Fe2.5 Ga2.5 O12 Y3 -
Comments: Nakatsuka, A.; Yoshiasa, A.; Takeno, S. Site preference of cations and structural variation in Y~3~Fe~5{-~x}Ga~x~O~12~ (0 {łeq} x {łeq} 5) solid solutions with garnet structure Acta Crystallographica Section B 51(5) (1995) 737-745
Space group: I a -3 d
Cell volume: 1875.9
Cell parameters: 12.333; 12.333; 12.333; 90; 90; 90;

COD ID: 2101369

CIF file

Original IUCr paper

Formula: - Fe2 Ga3 O12 Y3 -
Comments: Nakatsuka, A.; Yoshiasa, A.; Takeno, S. Site preference of cations and structural variation in Y~3~Fe~5{-~x}Ga~x~O~12~ (0 {łeq} x {łeq} 5) solid solutions with garnet structure Acta Crystallographica Section B 51(5) (1995) 737-745
Space group: I a -3 d
Cell volume: 1868.6
Cell parameters: 12.317; 12.317; 12.317; 90; 90; 90;

COD ID: 2101370

CIF file

Original IUCr paper

Formula: - Fe1.4 Ga3.6 O12 Y3 -
Comments: Nakatsuka, A.; Yoshiasa, A.; Takeno, S. Site preference of cations and structural variation in Y~3~Fe~5{-~x}Ga~x~O~12~ (0 {łeq} x {łeq} 5) solid solutions with garnet structure Acta Crystallographica Section B 51(5) (1995) 737-745
Space group: I a -3 d
Cell volume: 1866.3
Cell parameters: 12.312; 12.312; 12.312; 90; 90; 90;

COD ID: 2101371

CIF file

Original IUCr paper

Formula: - Fe1.2 Ga3.8 O12 Y3 -
Comments: Nakatsuka, A.; Yoshiasa, A.; Takeno, S. Site preference of cations and structural variation in Y~3~Fe~5{-~x}Ga~x~O~12~ (0 {łeq} x {łeq} 5) solid solutions with garnet structure Acta Crystallographica Section B 51(5) (1995) 737-745
Space group: I a -3 d
Cell volume: 1861.8
Cell parameters: 12.302; 12.302; 12.302; 90; 90; 90;

COD ID: 2101372

CIF file

Original IUCr paper

Formula: - Fe0.4 Ga4.6 O12 Y3 -
Comments: Nakatsuka, A.; Yoshiasa, A.; Takeno, S. Site preference of cations and structural variation in Y~3~Fe~5{-~x}Ga~x~O~12~ (0 {łeq} x {łeq} 5) solid solutions with garnet structure Acta Crystallographica Section B 51(5) (1995) 737-745
Space group: I a -3 d
Cell volume: 1855.9
Cell parameters: 12.289; 12.289; 12.289; 90; 90; 90;

COD ID: 2101373

CIF file

Original IUCr paper

Formula: - Ga5 O12 Y3 -
Comments: Nakatsuka, A.; Yoshiasa, A.; Takeno, S. Site preference of cations and structural variation in Y~3~Fe~5{-~x}Ga~x~O~12~ (0 {łeq} x {łeq} 5) solid solutions with garnet structure Acta Crystallographica Section B 51(5) (1995) 737-745
Space group: I a -3 d
Cell volume: 1848.6
Cell parameters: 12.273; 12.273; 12.273; 90; 90; 90;

COD ID: 2101374
CIF file Original IUCr paper	Formula: - C9 H9 Cl3 - Comments: Tazi, M.; Meinnel, J.; Sanquer, M.; Nusimovici, M.; Tonnard, F.; Carrie, R. Structure of 1,3,5-trichloro-2,4,6-trimethylbenzene at 150 and 297 K, molecular motion and reorientation Acta Crystallographica Section B 51(5) (1995) 838-847 Space group: P -1 Cell volume: 465.1 Cell parameters: 7.646; 8.789; 8.827; 59.78; 66.03; 72.69;

COD ID: 2101375
CIF file Original IUCr paper	Formula: - C9 H9 Cl3 - Comments: Tazi, M.; Meinnel, J.; Sanquer, M.; Nusimovici, M.; Tonnard, F.; Carrie, R. Structure of 1,3,5-trichloro-2,4,6-trimethylbenzene at 150 and 297 K, molecular motion and reorientation Acta Crystallographica Section B 51(5) (1995) 838-847 Space group: P -1 Cell volume: 478.1 Cell parameters: 7.738; 8.842; 8.88; 59.74; 66.51; 73.06;

COD ID: 2101376

CIF file

Original IUCr paper

Formula: - C22 H20 N2 O -
Comments: Olszewski, P. K.; Milart, P.; Stadnicka, K. Structure of (Z,Z)-N-{[2-(4-methylphenyl)-2-(4-methylphenyl)imino]ethylidene}aniline N-oxide: conjugation in systems with the nitrone moiety Acta Crystallographica Section B 51(5) (1995) 867-873
Space group: P n a 21
Cell volume: 1769.66
Cell parameters: 8.619; 10.9705; 18.7157; 90; 90; 90;

COD ID: 2101377

CIF file

Original IUCr paper

Formula: - C20 H22 S3 -
Comments: Iwasaki, F.; Sakuratani, M.; Kaneko, H.; Yasui, M.; Kamiya, N.; Iwasaki, H. Structure determination of organic compounds using an in-laboratory rapid X-ray measurement system ‒ comparison with structures determined by a four-circle diffractometer Acta Crystallographica Section B 51(6) (1995) 1028-1035
Space group: P 1 21/c 1
Cell volume: 1954.7
Cell parameters: 8.52; 12.434; 18.79; 90; 100.91; 90;

COD ID: 2101378

COD ID: 2101379

Formula: - C20 H30 O4 -
Comments: Iwasaki, F.; Sakuratani, M.; Kaneko, H.; Yasui, M.; Kamiya, N.; Iwasaki, H. Structure determination of organic compounds using an in-laboratory rapid X-ray measurement system – comparison with structures determined by a four-circle diffractometer Acta Crystallographica Section B 51(6) (1995) 1028-1035
Space group: P 1 21/n 1
Cell volume: 1883.1
Cell parameters: 10.885; 10.169; 17.597; 90; 104.82; 90;

COD ID: 2101380

COD ID: 2101381

Formula: - C21 H21 Bi Cl2 -
Comments: Iwasaki, F.; Sakuratani, M.; Kaneko, H.; Yasui, M.; Kamiya, N.; Iwasaki, H. Structure determination of organic compounds using an in-laboratory rapid X-ray measurement system ‒ comparison with structures determined by a four-circle diffractometer Acta Crystallographica Section B 51(6) (1995) 1028-1035
Space group: C 1 2/c 1
Cell volume: 4166
Cell parameters: 15.41; 19.748; 15.415; 90; 117.36; 90;

COD ID: 2101382
CIF file Original IUCr paper	Formula: - F6 K2 Si - Comments: Hester, J. R.; Maslen, E. N. Electron density ‒ structure relationships in some perovskite-type compounds Acta Crystallographica Section B 51(6) (1995) 913-920 Space group: F m -3 m Cell volume: 520.9 Cell parameters: 8.046; 8.046; 8.046; 90; 90; 90;

COD ID: 2101383

CIF file

Original IUCr paper

Formula: - C20 H28 O8 -
Comments: Doi, M.; In, Y.; Nishino, T.; Ishida, T.; Inoue, M.; Shibuya, H.; Ohashi, K.; Narita, N.; Kitagawa, I. Structural properties of synthetic ionophore GL~2~E~4~ diastereomers, 18-membered cyclic lactone tetraepoxides, by X-ray crystal analyses: possible relation between crystal structure and Ca^2+^-transportation ability Acta Crystallographica Section B 51(6) (1995) 1045-1050
Space group: P 21 21 21
Cell volume: 2021.5
Cell parameters: 6.372; 10.206; 31.085; 90; 90; 90;

COD ID: 2101384

CIF file

Original IUCr paper

Formula: - C20 H28 O8 -
Comments: Doi, M.; In, Y.; Nishino, T.; Ishida, T.; Inoue, M.; Shibuya, H.; Ohashi, K.; Narita, N.; Kitagawa, I. Structural properties of synthetic ionophore GL~2~E~4~ diastereomers, 18-membered cyclic lactone tetraepoxides, by X-ray crystal analyses: possible relation between crystal structure and Ca^2+^-transportation ability Acta Crystallographica Section B 51(6) (1995) 1045-1050
Space group: P -1
Cell volume: 487.7
Cell parameters: 10.649; 8.559; 5.734; 107.76; 91.13; 100.56;

COD ID: 2101385

CIF file

Original IUCr paper

Formula: - C20 H28 O8 -
Comments: Doi, M.; In, Y.; Nishino, T.; Ishida, T.; Inoue, M.; Shibuya, H.; Ohashi, K.; Narita, N.; Kitagawa, I. Structural properties of synthetic ionophore GL~2~E~4~ diastereomers, 18-membered cyclic lactone tetraepoxides, by X-ray crystal analyses: possible relation between crystal structure and Ca^2+^-transportation ability Acta Crystallographica Section B 51(6) (1995) 1045-1050
Space group: P b c a
Cell volume: 3930
Cell parameters: 8.669; 20.847; 21.746; 90; 90; 90;

COD ID: 2101386
CIF file Original IUCr paper	Formula: - Fe O3 Y - Comments: du Boulay, D.; Maslen, E. N.; Streltsov, V. A.; Ishizawa, N. A synchrotron X-ray study of the electron density in YFeO~3~ Acta Crystallographica Section B 51(6) (1995) 921-929 Space group: P n m a Cell volume: 223.837 Cell parameters: 5.5877; 7.5951; 5.2743; 90; 90; 90;

COD ID: 2101387
CIF file Original IUCr paper	Formula: - C Mn O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO~3~, MgCO~3~ and MnCO~3~ Acta Crystallographica Section B 51(6) (1995) 929-939 Space group: R -3 c :H Cell volume: 308.6 Cell parameters: 4.773; 4.773; 15.642; 90; 90; 120;

COD ID: 2101388
CIF file Original IUCr paper	Formula: - C16 H13 N5 O8 - Comments: Nagata, H.; In, Y.; Doi, M.; Ishida, T.; Wakahara, A. Structural features of four tryptophan metabolite–picric acid molecular complexes Acta Crystallographica Section B 51(6) (1995) 1051-1058 Space group: P -1 Cell volume: 854.3 Cell parameters: 8.027; 15.9; 7.176; 91.1; 106.76; 77.24;

COD ID: 2101389
CIF file Original IUCr paper	Formula: - C16 H11 N5 O7 - Comments: Nagata, H.; In, Y.; Doi, M.; Ishida, T.; Wakahara, A. Structural features of four tryptophan metabolite–picric acid molecular complexes Acta Crystallographica Section B 51(6) (1995) 1051-1058 Space group: P -1 Cell volume: 825 Cell parameters: 7.93; 16.166; 6.777; 95.98; 105.09; 96.64;

COD ID: 2101390
CIF file Original IUCr paper	Formula: - C16 H12 N4 O9 - Comments: Nagata, H.; In, Y.; Doi, M.; Ishida, T.; Wakahara, A. Structural features of four tryptophan metabolite–picric acid molecular complexes Acta Crystallographica Section B 51(6) (1995) 1051-1058 Space group: P -1 Cell volume: 842.4 Cell parameters: 7.628; 16.715; 6.85; 93.78; 99.96; 100.19;

COD ID: 2101391
CIF file Original IUCr paper	Formula: - C17 H17 N5 O8 - Comments: Nagata, H.; In, Y.; Doi, M.; Ishida, T.; Wakahara, A. Structural features of four tryptophan metabolite‒picric acid molecular complexes Acta Crystallographica Section B 51(6) (1995) 1051-1058 Space group: C 1 2/c 1 Cell volume: 3793.2 Cell parameters: 25.086; 6.722; 22.507; 90; 91.9; 90;

COD ID: 2101392
CIF file Original IUCr paper	Formula: - C12 H9 N3 O - Comments: Wojtczak, A.; Cody, V. Structure-activity relationships of inotropic bipyridines: crystallographic analysis of four milrinone analogues Acta Crystallographica Section B 51(6) (1995) 981-986 Space group: C 1 2/c 1 Cell volume: 1945.4 Cell parameters: 13.152; 8.987; 16.538; 90; 95.6; 90;

COD ID: 2101393
CIF file Original IUCr paper	Formula: - C13 H11 N3 O - Comments: Wojtczak, A.; Cody, V. Structure-activity relationships of inotropic bipyridines: crystallographic analysis of four milrinone analogues Acta Crystallographica Section B 51(6) (1995) 981-986 Space group: P -1 Cell volume: 550.06 Cell parameters: 6.704; 6.846; 13.273; 81.31; 85.28; 66.02;

COD ID: 2101394
CIF file Original IUCr paper	Formula: - C11 H16 Cl N3 O3 - Comments: Wojtczak, A.; Cody, V. Structure-activity relationships of inotropic bipyridines: crystallographic analysis of four milrinone analogues Acta Crystallographica Section B 51(6) (1995) 981-986 Space group: P -1 Cell volume: 1309.9 Cell parameters: 7.2; 10.695; 17.556; 77.2; 87.94; 83.58;

COD ID: 2101395
CIF file Original IUCr paper	Formula: - C11 H11 N3 O - Comments: Wojtczak, A.; Cody, V. Structure-activity relationships of inotropic bipyridines: crystallographic analysis of four milrinone analogues Acta Crystallographica Section B 51(6) (1995) 981-986 Space group: P 1 21/c 1 Cell volume: 986.7 Cell parameters: 9.535; 14.31; 7.4961; 90; 105.28; 90;

COD ID: 2101396
CIF file Original IUCr paper	Formula: - C4 H6 N4 O8 - Comments: Koh, L. L.; Sim, K. Y.; Huang, H. H.; Lam, Y. L.; Liang, E. P. Structure of 2,2,3,3-tetranitrobutane Acta Crystallographica Section B 51(6) (1995) 1097-1102 Space group: P 1 21/c 1 Cell volume: 919 Cell parameters: 6.224; 10.344; 14.55; 90; 101.32; 90;

COD ID: 2101397
CIF file Original IUCr paper	Formula: - C4 H6 N4 O8 - Comments: Koh, L. L.; Sim, K. Y.; Huang, H. H.; Lam, Y. L.; Liang, E. P. Structure of 2,2,3,3-tetranitrobutane Acta Crystallographica Section B 51(6) (1995) 1097-1102 Space group: P -1 Cell volume: 462.8 Cell parameters: 6.152; 7.216; 11.622; 76.17; 76.93; 69.27;

COD ID: 2101398
CIF file Original IUCr paper	Formula: - C9 H13 N3 O5 - Comments: Chen, L.; Craven, B. M. Electrostatic properties of β-cytidine and cytosine monohydrate from Bragg diffraction Acta Crystallographica Section B 51(6) (1995) 1081-1097 Space group: P 21 21 21 Cell volume: 1040.1 Cell parameters: 13.925; 14.715; 5.076; 90; 90; 90;

COD ID: 2101399
CIF file Original IUCr paper	Formula: - C28 H28 O4 Sn - Comments: Wharf, I.; Simard, M. G. Studies in aryltin chemistry. IX. Structures of tetra(<i>m</i>-methoxyphenyl)tin(IV) and tetra(<i>o</i>-methoxyphenyl)tin(IV) Acta Crystallographica Section B 51(6) (1995) 973-980 Space group: C 1 2/c 1 Cell volume: 4951 Cell parameters: 17.534; 9.908; 30.011; 90; 108.27; 90;

COD ID: 2101400
CIF file Original IUCr paper	Formula: - C28 H28 O4 Sn - Comments: Wharf, I.; Simard, M. G. Studies in aryltin chemistry. IX. Structures of tetra(<i>m</i>-methoxyphenyl)tin(IV) and tetra(<i>o</i>-methoxyphenyl)tin(IV) Acta Crystallographica Section B 51(6) (1995) 973-980 Space group: P -1 Cell volume: 2597 Cell parameters: 9.145; 16.562; 18.01; 77.72; 78.52; 81.7;

COD ID: 2101401
CIF file Original IUCr paper	Formula: - C24 H31 N O9 - Comments: Karle, J. M.; Lin, Ai. J. Correlation of the crystal structures of diastereomeric artemisinin derivatives with their proton NMR spectra in CDCl~3~ Acta Crystallographica Section B 51(6) (1995) 1063-1068 Space group: C 1 2 1 Cell volume: 2430.1 Cell parameters: 26.555; 8.737; 11.494; 90; 114.32; 90;

COD ID: 2101402
CIF file Original IUCr paper	Formula: - C26 H35 N O9 - Comments: Karle, J. M.; Lin, Ai. J. Correlation of the crystal structures of diastereomeric artemisinin derivatives with their proton NMR spectra in CDCl~3~ Acta Crystallographica Section B 51(6) (1995) 1063-1068 Space group: P 1 21 1 Cell volume: 2646.5 Cell parameters: 12.392; 10.639; 20.081; 90; 91.51; 90;

COD ID: 2101403
CIF file Original IUCr paper	Formula: - Cd P S3 - Comments: Boucher, F.; Evain, M.; Brec, R. Phase transition upon <i>d</i>^10^ Cd^2+^ ordering in CdPS~3~ Acta Crystallographica Section B 51(6) (1995) 952-961 Space group: R -3 :H Cell volume: 654 Cell parameters: 6.224; 6.224; 19.49; 90; 90; 120;

COD ID: 2101404
CIF file Original IUCr paper	Formula: - Cd P S3 - Comments: Boucher, F.; Evain, M.; Brec, R. Phase transition upon <i>d</i>^10^ Cd^2+^ ordering in CdPS~3~ Acta Crystallographica Section B 51(6) (1995) 952-961 Space group: R 3 :H Cell volume: 654 Cell parameters: 6.224; 6.224; 19.49; 90; 90; 120;

COD ID: 2101405
CIF file Original IUCr paper	Formula: - Cu O12 P3 Th2 - Comments: Louër, M.; Brochu, R.; Louër, D.; Arsalane, S.; Ziyad, M. Structure determination of CuTh~2~(PO~4~)~3~ Acta Crystallographica Section B 51(6) (1995) 908-913 Space group: C 1 2/c 1 Cell volume: 988.1 Cell parameters: 22.03; 6.742; 7.019; 90; 108.6; 90;

COD ID: 2101406
CIF file Original IUCr paper	Formula: - C18 H18 - Comments: Gorter, S.; Rutten-Keulemans, E.; Krever, M.; Romers, C.; Cruickshank, D. W. J. [18]-Annulene, C~18~H~18~, structure, disorder and Hückel's 4<i>n</i> + 2 rule Acta Crystallographica Section B 51(6) (1995) 1036-1045 Space group: P 1 21/a 1 Cell volume: 686.8 Cell parameters: 14.984; 4.802; 10.26; 90; 111.52; 90;

COD ID: 2101407
CIF file Original IUCr paper	Formula: - C60.5 H86 N10 O17 S2 - Comments: Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J. Structures of quinoxaline antibiotics Acta Crystallographica Section B 51(6) (1995) 987-999 Space group: P 65 Cell volume: 10513 Cell parameters: 22.196; 22.196; 24.64; 90; 90; 120;

COD ID: 2101408
CIF file Original IUCr paper	Formula: - C54.67 H72 Cl2 N12 O12.67 S2 - Comments: Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J. Structures of quinoxaline antibiotics Acta Crystallographica Section B 51(6) (1995) 987-999 Space group: P 21 21 21 Cell volume: 6244 Cell parameters: 16.054; 17.128; 22.706; 90; 90; 90;

COD ID: 2101409
CIF file Original IUCr paper	Formula: - C64 H90 N12 O16 S2 - Comments: Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J. Structures of quinoxaline antibiotics Acta Crystallographica Section B 51(6) (1995) 987-999 Space group: P 21 21 21 Cell volume: 7295 Cell parameters: 20.94; 18.53; 18.8; 90; 90; 90;

COD ID: 2101410
CIF file Original IUCr paper	Formula: - C56 H77 Cl N14 O14 S2 - Comments: Sheldrick, G. M.; Heine, A.; Schmidt-Bäse, K.; Pohl, E.; Jones, P. G.; Paulus, E.; Waring, M. J. Structures of quinoxaline antibiotics Acta Crystallographica Section B 51(6) (1995) 987-999 Space group: C 2 2 21 Cell volume: 6371 Cell parameters: 10.622; 17.035; 35.21; 90; 90; 90;

COD ID: 2101411

CIF file

Original IUCr paper

Formula: - C6 H13 N O2 -
Comments: Harding, M. M.; Kariuki, B. M.; Williams, L.; Anwar, J. DL-Norleucine: redetermination of structure and observations with synchrotron radiation Laue diffraction on heating towards transformation Acta Crystallographica Section B 51(6) (1995) 1059-1062
Space group: P 1 21/a 1
Cell volume: 743.7
Cell parameters: 9.9069; 4.737; 16.382; 90; 104.681; 90;

COD ID: 2101412
CIF file Original IUCr paper	Formula: - C10 H11 N O - Comments: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B 51(6) (1995) 1004-1015 Space group: P b c a Cell volume: 1832 Cell parameters: 9.132; 12.931; 15.514; 90; 90; 90;

COD ID: 2101413

CIF file

Original IUCr paper

Formula: - C11 H13 N O -
Comments: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N–H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B 51(6) (1995) 1004-1015
Space group: P -1
Cell volume: 1012.7
Cell parameters: 10.004; 10.482; 11.506; 114.54; 111.28; 88.16;

COD ID: 2101414
CIF file Original IUCr paper	Formula: - C11 H13 N O3 - Comments: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B 51(6) (1995) 1004-1015 Space group: P b c a Cell volume: 2192.8 Cell parameters: 9.469; 8.53; 27.149; 90; 90; 90;

COD ID: 2101415
CIF file Original IUCr paper	Formula: - C14 H11 N O2 - Comments: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B 51(6) (1995) 1004-1015 Space group: I b a 2 Cell volume: 1203.4 Cell parameters: 8.469; 15.783; 9.003; 90; 90; 90;

COD ID: 2101416

CIF file

Original IUCr paper

Formula: - C20 H18 N4 O -
Comments: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B 51(6) (1995) 1004-1015
Space group: P 1 21/a 1
Cell volume: 1689.3
Cell parameters: 11.793; 7.92; 18.366; 90; 100.01; 90;

COD ID: 2101417

CIF file

Original IUCr paper

Formula: - C16 H10 Cl N O2 -
Comments: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B 51(6) (1995) 1004-1015
Space group: P 1 21/c 1
Cell volume: 1265.1
Cell parameters: 4.823; 22.371; 11.814; 90; 97.04; 90;

COD ID: 2101418

CIF file

Original IUCr paper

Formula: - C13 H13 N5 O -
Comments: Bertolasi, V.; Gilli, P.; Ferretti, V.; Gilli, G. Intermolecular N‒H^{···^}O hydrogen bonds assisted by resonance. Heteroconjugated systems as hydrogen-bond-strengthening functional groups Acta Crystallographica Section B 51(6) (1995) 1004-1015
Space group: C 1 2/c 1
Cell volume: 2560.3
Cell parameters: 18.97; 5.77; 23.578; 90; 97.22; 90;

COD ID: 2101419

CIF file

Original IUCr paper

Formula: - C22 H18 N2 O2 -
Comments: Fischer, G.; Pindur, U.; Schollmeyer, D. Different crystal modifications of 3aβ,4a-dihydro-4β,10-dimethyl-2-phenyl-1H,3H,5H-pyrrolo[3,4-b]carbazol-1,3-dione ‒ crystal data and theoretical calculations Acta Crystallographica Section B 51(6) (1995) 999-1003
Space group: C 1 2/c 1
Cell volume: 3422.7
Cell parameters: 14.9853; 10.1607; 23.729; 90; 108.68; 90;

COD ID: 2101420

CIF file

Original IUCr paper

Formula: - C22 H18 N2 O2 -
Comments: Fischer, G.; Pindur, U.; Schollmeyer, D. Different crystal modifications of 3aβ,4a-dihydro-4β,10-dimethyl-2-phenyl-1H,3H,5H-pyrrolo[3,4-b]carbazol-1,3-dione ‒ crystal data and theoretical calculations Acta Crystallographica Section B 51(6) (1995) 999-1003
Space group: C 1 2/c 1
Cell volume: 3427
Cell parameters: 14.977; 10.177; 23.663; 90; 108.17; 90;

COD ID: 2105382
CIF file	Formula: - Ag8 S - Comments: Hashimoto, H.; Yu, Y.-D.; Guan, R.; Makita, Y. Electron-microscope study of the structure of Ag8 S formed in the initial stage of silver sulfidation Acta Crystallographica B (39,1983-) 51 (1995) 149-155 Space group: I m m 2 Cell volume: 328.512 Cell parameters: 5.9; 6.4; 8.7; 90; 90; 90;

COD ID: 9007689
CIF file	Formula: - C Ca O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 Acta Crystallographica, Section B 51(6) (1995) 929-939 Space group: R -3 c :H Cell volume: 367.761 Cell parameters: 4.988; 4.988; 17.068; 90; 90; 120;

COD ID: 9007690

CIF file

Formula: - C Mn O3 -
Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 Sample: Synchrotron data Acta Crystallographica, Section B 51(6) (1995) 929-939
Space group: R -3 c :H
Cell volume: 308.379
Cell parameters: 4.772; 4.772; 15.637; 90; 90; 120;

COD ID: 9007692
CIF file	Formula: - C Mg O3 - Comments: Maslen, E. N.; Streltsov, V. A.; Streltsova, N. R.; Ishizawa, N. Electron density and optical anisotropy in rhombohedral carbonates. III. Synchrotron X-ray studies of CaCO3, MgCO3 and MnCO3 Acta Crystallographica, Section B 51(6) (1995) 929-939 Space group: R -3 c :H Cell volume: 278.751 Cell parameters: 4.632; 4.632; 15.002; 90; 90; 120;

COD ID: 9011379
CIF file	Formula: - Cl5 Fe H2 K2 O - Comments: Schultz, A. J.; Carlin, R. L. Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Sample: P = .1 MPa Sample: T = 15 K Acta Crystallographica, Section B 51(1) (1995) 43-47 Space group: P n m a Cell volume: 907.282 Cell parameters: 13.452; 9.631; 7.003; 90; 90; 90;

COD ID: 9011380
CIF file	Formula: - Cl5 Fe H2 K2 O - Comments: Schultz, A. J.; Carlin, R. L. Single-crystal pulsed neutron diffraction structure of the antiferromagnet K2[FeCl5(H2O)] with and without applied pressure Sample: P = .14 GPa Sample: T = 15 K Acta Crystallographica, Section B 51(1) (1995) 43-47 Space group: P n m a Cell volume: 896.881 Cell parameters: 13.391; 9.648; 6.942; 90; 90; 90;

COD ID: 9016495

CIF file

Formula: - Ca Fe0.12 Mg0.88 O4 Si -
Comments: Pilati, T.; Demartin, F.; Gramaccioli, C. M. Thermal parameters for minerals of the olivine group: their implication on vibrational spectra, thermodynamic functions and transferable force fields Acta Crystallographica, Section B 51(5) (1995) 721-733
Space group: P n m a
Cell volume: 342.722
Cell parameters: 11.1098; 6.3894; 4.8281; 90; 90; 90;

Back to the search form
Your own data is not in the COD? Deposit it, thanks!