Crystallography Open Database
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Searching journal of publication like 'Acta Crystallographica Section B Structural Science, Crystal Engineering and Materials'
COD ID  |
Links | Formula  |
Space group |
Cell parameters | Cell volume |
Bibliography |
|---|---|---|---|---|---|---|
| 2100475 | CIF Paper | C10 H17 N O5 S | C 1 2 1 | 30.9967; 6.9861; 5.617 90; 93.354; 90 | 1214.26 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100476 | CIF Paper | C14 H23 N O8 | P 21 21 21 | 6.622; 7.462; 33.216 90; 90; 90 | 1641.31 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100477 | CIF Paper | C24 H42 N2 O11 | P 1 | 5.9373; 7.0594; 18.3791 80.254; 88.527; 66.247 | 694.14 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100478 | CIF Paper | C17 H23 N O4 S | P 21 21 21 | 5.7491; 7.1665; 42.0343 90; 90; 90 | 1731.85 | Edwin A Collier; Roger J Davey; Simon N Black; Ronald J Roberts 17 salts of ephedrine: crystal structures and packing analysis Acta Crystallographica Section B, 2006, 62, 498-505 |
| 2100479 | CIF Paper | C14 H26 O2 | P 1 21 1 | 5.54; 41.653; 12.025 90; 90.33; 90 | 2774.8 | Patrick, Brian O.; Brock, Carolyn Pratt S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497 |
| 2100480 | CIF Paper | C14 H26 O2 | P 1 21 1 | 5.4816; 41.262; 11.954 90; 90.39; 90 | 2703.7 | Patrick, Brian O.; Brock, Carolyn Pratt S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497 |
| 2100481 | CIF Paper | C14 H26 O2 | C 1 2/c 1 | 23.153; 11.852; 10.926 90; 104.64; 90 | 2900.9 | Patrick, Brian O.; Brock, Carolyn Pratt S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497 |
| 2100482 | CIF Paper | C14 H26 O2 | C 1 2/c 1 | 23.161; 11.584; 10.973 90; 106.1; 90 | 2828.6 | Patrick, Brian O.; Brock, Carolyn Pratt S,S-1,2-Dicyclohexylethane-1,2-diol and its racemic compound: a striking exception to Wallach's rule Acta Crystallographica, Section B: Structural Science, 2006, 62, 488-497 |
| 2100483 | CIF HKL Paper | C5 H12 O4 | I -4 | 6.0867; 6.0867; 8.4958 90; 90; 90 | 314.752 | Elizabeth A.Zhurova; Vladimir G. Tsirelson; Vladimir V. Zhurov; Adam I. Stash; A. Alan Pinkerton Chemical bonding in pentaerythritol at very low temperature or at high pressure: an experimental and theoretical study Acta Crystallographica Section B, 2006, 62, 513-520 |
| 2100484 | CIF Paper | Ag14.52 Cu1.48 S11 Sb2 | P 3 2 1 | 15.0954; 15.0954; 11.8825 90; 90; 120 | 2344.9 | M. Evain; L. Bindi; S. Menchetti Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~ Acta Crystallographica Section B, 2006, 62, 447-456 |
| 2100485 | CIF Paper | Ag14.814 Cu1.186 S11 Sb2 | C 1 2/c 1 | 26.188; 15.1199; 23.784 90; 90; 90 | 9418 | M. Evain; L. Bindi; S. Menchetti Structural complexity in minerals: twinning, polytypism and disorder in the crystal structure of polybasite, (Ag,Cu)~16~(Sb,As)~2~S~11~ Acta Crystallographica Section B, 2006, 62, 447-456 |
| 2100486 | CIF HKL Paper | C22 H20 O3 | P21/c(\a0\g)00 | 7.2527; 24.951; 9.8959 90; 106.645; 90 | 1715.7 | Cyril A. Fuhre; Kurt Schenk; Robert Häner; Gervais Chapuis; Nicolas Guiblin; Helen Stoeckli-Evans The incommensurately modulated structure of a tricyclic natural-product-like compound of empirical formula C~22~H~20~O~3~ Acta Crystallographica Section B, 2006, 62, 506-512 |
| 2100487 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 8.4637; 6.0176; 10.1812 90; 105.747; 90 | 499.08 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100488 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 10.2175; 6.0353; 8.486 90; 105.716; 90 | 503.73 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100489 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 8.407; 6.0038; 10.1607 90; 105.829; 90 | 493.4 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100490 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 8.3155; 5.9607; 10.1123 90; 106.021; 90 | 481.76 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100491 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 8.1889; 5.905; 10.01 90; 106.349; 90 | 464.47 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100492 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 7.9633; 5.7915; 9.8203 90; 106.933; 90 | 433.27 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100493 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 7.8667; 5.7418; 9.7349 90; 107.299; 90 | 419.83 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100494 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 7.8065; 5.7061; 9.6871 90; 107.409; 90 | 411.74 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100495 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 7.7447; 5.6735; 9.6219 90; 107.559; 90 | 403.08 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100496 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 7.6626; 5.6223; 9.5448 90; 107.815; 90 | 391.49 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100497 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 7.6343; 5.6073; 9.5122 90; 107.911; 90 | 387.46 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100498 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 7.5999; 5.5911; 9.4814 90; 107.995; 90 | 383.17 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100499 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 7.5511; 5.5626; 9.4311 90; 108.221; 90 | 376.28 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100500 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 7.5316; 5.553; 9.4148 90; 108.253; 90 | 373.94 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100501 | CIF Paper | C4 H12 Cl2 Pt S2 | P 1 21/n 1 | 7.5335; 5.5545; 9.4126 90; 108.256; 90 | 374.04 | Hansson, Christian; Carlson, Stefan; Giveen, Deborah; Johansson, Maria; Yong, Shen; Oskarsson, Åke <i>Cis</i>/<i>trans</i> isomers of Pt<i>X</i>~2~<i>L</i>~2~ (<i>X</i> = halogen, <i>L</i> = neutral ligand); the crystal structure of <i>trans</i>-dichlorobis(dimethyl sulfide)platinum(II) and the pressure dependence of its unit-cell dimensions Acta Crystallographica Section B, 2006, 62, 474-479 |
| 2100502 | CIF Paper | C15 H16 N2 O2 | P 1 21/n 1 | 4.001; 25.09; 12.94 90; 93.65; 90 | 1296 | Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer Acta Crystallographica Section B, 2006, 62, 480-487 |
| 2100503 | CIF Paper | C22 H21 N3 O6 | P -1 | 7.683; 12.188; 12.562 114.88; 99.61; 96.03 | 1031.8 | Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer Acta Crystallographica Section B, 2006, 62, 480-487 |
| 2100504 | CIF Paper | C9 H12 N2 O2 | P 1 21/c 1 | 11.046; 4.8739; 18.027 90; 106.728; 90 | 929.5 | Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer Acta Crystallographica Section B, 2006, 62, 480-487 |
| 2100505 | CIF Paper | C16 H17 N3 O6 | P 1 21/c 1 | 7.113; 11.797; 18.314 90; 94.644; 90 | 1531.7 | Sharif, Shasad; Powell, Douglas R.; Schagen, David; Steiner, Thomas; Toney, Michael D.; Fogle, Emily; Limbach, Hans-Heinrich X-ray crystallographic structures of enamine and amine Schiff bases of pyridoxal and its 1:1 hydrogen-bonded complexes with benzoic acid derivatives: evidence for coupled inter- and intramolecular proton transfer Acta Crystallographica Section B, 2006, 62, 480-487 |
| 2100506 | CIF Paper | C2 Ca F6 O6 S2 | R -3 :H | 5.60549; 5.605486; 31.1417 90; 90; 120 | 847.42 | Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473 |
| 2100507 | CIF Paper | C2 Cu F6 O6 S2 | P -1 | 4.98965; 10.7668; 4.82189 103.523; 118.085; 79.459 | 221.402 | Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473 |
| 2100508 | CIF Paper | C2 F6 O6 S2 Zn | R -3 :H | 4.97873; 4.97873; 31.3165 90; 90; 120 | 672.27 | Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473 |
| 2100509 | CIF Paper | C2 F6 Mg O6 S2 | R -3 :H | 5.0494; 5.0494; 31.033 90; 90; 120 | 685.23 | Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473 |
| 2100510 | CIF Paper | C2 Ba F6 O6 S2 | I 1 2/a 1 | 21.7505; 4.90797; 9.6949 90; 100.379; 90 | 1018.01 | Dinnebier, Robert; Sofina, Natalia; Hildebrandt, Lars; Jansen, Martin Crystal structures of the trifluoromethyl sulfonates M(SO~3~CF~3~)~2~ (M = Mg, Ca, Ba, Zn, Cu) from synchrotron X-ray powder diffraction data Acta Crystallographica, Section B: Structural Science, 2006, 62, 467-473 |
| 2100511 | CIF Paper | Na2 O7 Si3 | C2/c(0\b0)s0 | 20.416; 6.4987; 4.9294 90; 90.26; 90 | 654 | Krüger, Hannes; Kahlenberg, Volker; Friese, Karen Na~2~Si~3~O~7~: an incommensurate structure with crenel-type modulation functions, refined from a twinned crystal Acta Crystallographica Section B, 2006, 62, 440-446 |
| 2100512 | CIF Paper | Ba2 Nb O6 Y | F m -3 m | 8.44114; 8.44114; 8.44114 90; 90; 90 | 601.455 | Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B, 2006, 62, 384-396 |
| 2100513 | CIF Paper | Al Ca2 Nb O6 | P 1 21/n 1 | 5.37706; 5.41557; 7.6255 90; 89.97; 90 | 222.053 | Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B, 2006, 62, 384-396 |
| 2100514 | CIF Paper | Ca2 Cr O6 Ta | P 1 21/n 1 | 5.42609; 5.49922; 7.71863 90; 90.017; 90 | 230.318 | Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B, 2006, 62, 384-396 |
| 2100515 | CIF Paper | Cr O6 Sr2 Ta | I 4/m | 5.57516; 5.57516; 7.8808 90; 90; 90 | 244.954 | Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B, 2006, 62, 384-396 |
| 2100516 | CIF Paper | Ga O6 Sr2 Ta | I 4/m | 5.57539; 5.57539; 7.8949 90; 90; 90 | 245.413 | Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B, 2006, 62, 384-396 |
| 2100517 | CIF Paper | Nb O6 Sc Sr2 | P 1 21/n 1 | 5.7045; 5.6973; 8.0505 90; 90.021; 90 | 261.643 | Barnes, Paris W.; Lufaso, Michael W.; Woodward, Patrick M. Structure determination of <i>A</i>~2~<i>M</i>^3+^TaO~6~ and <i>A</i>~2~<i>M</i>^3+^NbO~6~ ordered perovskites: octahedral tilting and pseudosymmetry Acta Crystallographica Section B, 2006, 62, 384-396 |
| 2100518 | CIF HKL Paper | C4 H7 N O2 | P 1 21 1 | 6.27983; 7.83799; 5.46295 90; 114.893; 90 | 243.913 | Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero Structures of (<i>S</i>)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data Acta Crystallographica Section B, 2006, 62, 606-611 |
| 2100519 | CIF HKL Paper | C4 H5 N O3 | P 21 21 21 | 8.94684; 7.66956; 7.27555 90; 90; 90 | 499.236 | Asiloé J. Mora; Michella Brunelli; Andrew N. Fitch; Jonathan Wright; Maria E. Báez; Francisco López-Carrasquero Structures of (<i>S</i>)-({-})-4-oxo-2-azetidinecarboxylic acid and 3-azetidinecarboxylic acid from powder synchrotron diffraction data Acta Crystallographica Section B, 2006, 62, 606-611 |
| 2100520 | CIF HKL Paper | C6 D7 N O | I 41/a m d :2 | 7.9411; 7.9411; 19.6002 90; 90; 90 | 1236.01 | Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F. Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature Acta Crystallographica Section B, 2006, 62, 627-633 |
| 2100521 | CIF HKL Paper | C6 D7 N O | F d d d :2 | 12.1382; 10.2367; 19.5676 90; 90; 90 | 2431.37 | Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F. Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature Acta Crystallographica Section B, 2006, 62, 627-633 |
| 2100522 | CIF HKL Paper | C6 D7 N O | P 41 | 15.41038; 15.41038; 19.68 90; 90; 90 | 4673.6 | Damay, F.; Carretero-Genevrier, A.; Cousson, A.; Rodriguez-Carvajal, J.; Van Beek, W.; Fillaux, F. Synchrotron and neutron diffraction study of 4-methylpyridine-<i>N</i>-oxide at low temperature Acta Crystallographica Section B, 2006, 62, 627-633 |
| 2100523 | CIF Paper | C9 H14 N2 O2 S | P -1 | 7.2934; 7.8145; 10.2181 87.055; 70.569; 72.898 | 524.22 | V. Tsirelson; A. Stash; V. Potemkin; A. Rykounov; A. Shutalev; E. Zhurova; V. Zhurov; A. A. Pinkerton; G. Gurskaya; V. Zavodnik Molecular and crystal properties of ethyl 4,6-dimethyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate from experimental and theoretical electron densities Acta Crystallographica Section B, 2006, 62, 676-688 |
| 2100524 | CIF Paper | C5 H4 N4 O | C 1 2/c 1 | 22.0427; 3.9311; 14.234 90; 114.885; 90 | 1118.89 | Harriott Nowell; Christopher S. Frampton; Julie Waite; Sarah L. Price Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazole Acta Crystallographica Section B, 2006, 62, 642-650 |
| 2100525 | CIF Paper | C5 H4 N4 O | P 1 21/c 1 | 3.7487; 20.8881; 7.0982 90; 96.257; 90 | 552.5 | Harriott Nowell; Christopher S. Frampton; Julie Waite; Sarah L. Price Blind crystal structure prediction of a novel second polymorph of 1-hydroxy-7-azabenzotriazole Acta Crystallographica Section B, 2006, 62, 642-650 |
| 2100526 | CIF Paper | C14 H10 N4 O4 | P 1 21/n 1 | 9.1379; 6.1776; 11.7682 90; 93.853; 90 | 662.82 | Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L. Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes Acta Crystallographica Section B, 2006, 62, 666-675 |
| 2100527 | CIF Paper | C14 H10 N4 O4 | P 1 21/c 1 | 7.7809; 14.7825; 6.2196 90; 113.106; 90 | 658 | Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L. Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes Acta Crystallographica Section B, 2006, 62, 666-675 |
| 2100528 | CIF Paper | C14 H10 N4 O4 | P 1 21 1 | 7.8036; 7.0914; 12.3424 90; 101.742; 90 | 668.72 | Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L. Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes Acta Crystallographica Section B, 2006, 62, 666-675 |
| 2100529 | CIF Paper | C14 H10 N4 O4 | P 1 21/n 1 | 7.0128; 7.6318; 12.8037 90; 105.825; 90 | 659.29 | Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L. Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes Acta Crystallographica Section B, 2006, 62, 666-675 |
| 2100530 | CIF Paper | C14 H10 N4 O4 | C 1 2/c 1 | 30.865; 4.766; 21.736 90; 123.926; 90 | 2653.1 | Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L. Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes Acta Crystallographica Section B, 2006, 62, 666-675 |
| 2100531 | CIF Paper | C14 H10 N4 O4 | P 1 21/n 1 | 3.7318; 7.2442; 23.9367 90; 94.053; 90 | 645.48 | Glidewell, Christopher; Low, John Nicolson; Skakle, Janet M.S.; Wardell, James L. Isomers and polymorphs of (<i>E</i>,<i>E</i>)-1,4-bis(nitrophenyl)-2,3-diaza-1,3-butadienes Acta Crystallographica Section B, 2006, 62, 666-675 |
| 2100532 | CIF Paper | C12 H9 Cl N2 O | P c c n | 13.2296; 21.0744; 7.6898 90; 90; 90 | 2144 | Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2006, 62, 651-665 |
| 2100533 | CIF Paper | C13 H11 Cl N2 O | P -1 | 9.6824; 11.3082; 11.5139 77.453; 73.445; 87.978 | 1179.07 | Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2006, 62, 651-665 |
| 2100534 | CIF Paper | C12 H10 Cl F N2 O2 | P -1 | 6.8033; 8.1303; 11.5356 84.032; 84.297; 69.569 | 593.32 | Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2006, 62, 651-665 |
| 2100535 | CIF Paper | C12 H8 Cl2 N2 O | P 1 21 1 | 5.0855; 28.982; 15.607 90; 90.37; 90 | 2300.2 | Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2006, 62, 651-665 |
| 2100536 | CIF Paper | C12 H8 Br Cl N2 O | P 21 21 21 | 4.881; 13.3448; 18.3974 90; 90; 90 | 1198.33 | Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2006, 62, 651-665 |
| 2100537 | CIF Paper | C12 H8 Cl I N2 O | P b c a | 10.6597; 25.9833; 9.2044 90; 90; 90 | 2549.38 | Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2006, 62, 651-665 |
| 2100538 | CIF Paper | C13 H11 Cl N2 O2 | P 21 21 21 | 4.8536; 11.8437; 21.0612 90; 90; 90 | 1210.69 | Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2006, 62, 651-665 |
| 2100539 | CIF Paper | C13 H8 Cl N3 O | P -1 | 7.2885; 7.7607; 20.8849 96.456; 92.913; 91.81 | 1171.49 | Cuffini, Silvia; Glidewell, Christopher; Low, John N.; de Oliviera, Aline G.; de Souza, Marcus V. N.; Vasconcelos, Thatyana R. A.; Wardell, Solange M. S. V.; Wardell, James L. Nine <i>N</i>-aryl-2-chloronicotinamides: supramolecular structures in one, two and three dimensions Acta Crystallographica Section B, 2006, 62, 651-665 |
| 2100540 | CIF Paper | Ca2 Co0.9 O7 Si2 Zn0.1 | P -4 | 23.518; 23.518; 5.0263 90; 90; 90 | 2780 | Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals Acta Crystallographica, Section B, 2006, 62, 547-555 |
| 2100541 | CIF Paper | Ca2 Co0.9 O7 Si2 Zn0.1 | P 21 21 2 | 23.518; 23.518; 5.0263 90; 90; 90 | 2780 | Jia, Zihong. H.; Schaper, Andreas K.; Massa, Werner; Rager, Helmut Structure and Phase Transitions in Ca~2~CoSi~2~O~7~ ‒ Ca~2~ZnSi~2~O~7~ Solid Solution Crystals Acta Crystallographica, Section B, 2006, 62, 547-555 |
| 2100542 | CIF Paper | C18 H14 Cl N8 O2.5 | P -1 | 6.9825; 15.7877; 17.878 100.232; 95.906; 100.567 | 1887.81 | V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists Acta Crystallographica Section B, 2006, 62, 634-641 |
| 2100543 | CIF Paper | C22 H22 N8 O3 | P 1 21/c 1 | 11.2816; 24.0888; 8.1651 90; 103.917; 90 | 2153.81 | V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists Acta Crystallographica Section B, 2006, 62, 634-641 |
| 2100544 | CIF Paper | C26 H30 N8 O5 | P -1 | 12.6218; 14.0932; 15.6948 72.867; 71.328; 70.635 | 2439.15 | V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists Acta Crystallographica Section B, 2006, 62, 634-641 |
| 2100545 | CIF Paper | C20 H20 N8 O4 S | P -1 | 10.149; 10.5112; 11.4025 110.185; 97.964; 99.651 | 1099.89 | V. Ferretti; L. Pretto; M. A. Tabrizi; P. Gilli Role of strong intramolecular N—H···N hydrogen bonds in determining the conformation of adenosine-receptor antagonists Acta Crystallographica Section B, 2006, 62, 634-641 |
| 2100546 | CIF Paper | C4 H4 N2 O S | P -1 | 4.2427; 5.9648; 10.5801 105.736; 94.912; 91.927 | 256.32 | Munshi, Parthapratim; Guru Row, T. N. Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis Acta Crystallographica Section B, 2006, 62, 612-626 |
| 2100547 | CIF Paper | C4 H7 N3 O2 | P 1 21/c 1 | 7.7161; 9.8337; 7.5131 90; 100.523; 90 | 560.49 | Munshi, Parthapratim; Guru Row, T. N. Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis Acta Crystallographica Section B, 2006, 62, 612-626 |
| 2100548 | CIF Paper | C7 H6 O3 | P 1 21/c 1 | 4.8818; 11.2009; 11.2335 90; 92.621; 90 | 613.61 | Munshi, Parthapratim; Guru Row, T. N. Intra- and intermolecular interactions in small bioactive molecules: cooperative features from experimental and theoretical charge-density analysis Acta Crystallographica Section B, 2006, 62, 612-626 |
| 2100549 | CIF Paper | Cr2 O7 P2 | C2/m(\a0\g)0s | 7.0192; 8.4063; 4.6264 90; 108.611; 90 | 258.708 | Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B, 2006, 62, 556-566 |
| 2100550 | CIF Paper | Cr2 O7 P2 | C2/m(\a0\g)0s | 7.0464; 8.4073; 4.6394 90; 108.708; 90 | 260.322 | Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B, 2006, 62, 556-566 |
| 2100551 | CIF HKL Paper | Cr2 O7 P2 | I 1 2/c 1 | 21.1392; 8.4073; 9.2788 90; 108.708; 90 | 1561.93 | Palatinus, Lukas; Dusek, Michal; El Bali, Brahim; Glaum, Robert The incommensurately and commensurately modulated crystal structures of chromium(II) diphosphate Acta Crystallographica Section B, 2006, 62, 556-566 |
| 2100552 | CIF Paper | C5 H6 N2 O Se | P 1 21/c 1 | 4.3411; 14.756; 9.69 90; 90.157; 90 | 620.71 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100553 | CIF Paper | C6 H8 N2 O Se | P -1 | 8.394; 10.029; 14.931 101.023; 100.893; 105.705 | 1148.5 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100554 | CIF Paper | C7 H10 N2 O Se | P b c a | 10.568; 11.257; 28.79 90; 90; 90 | 3425 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100555 | CIF Paper | C7 H10 N2 O Se | P -1 | 8.9192; 10.6403; 15.1965 106.019; 105.366; 96.166 | 1311 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100556 | CIF Paper | C8 H12 Cl2 N2 O Se | P -1 | 8.841; 11.259; 12.424 90.45; 105.35; 92.945 | 1190.7 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100557 | CIF Paper | C7 H10 I2 N2 O Se | P -1 | 6.603; 7.7; 13.037 75.969; 86.808; 73.113 | 615.3 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100558 | CIF Paper | C24 H30 N8 O6 Se2 | P -1 | 4.833; 9.797; 14.1796 83.49; 84.431; 89.353 | 663.91 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100559 | CIF Paper | C28 H34 N8 O4 Se2 | P -1 | 5.0717; 11.8615; 11.9385 83.161; 82.785; 84.358 | 704.9 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100560 | CIF Paper | C7 H10 N2 O2 | R -3 :H | 19.9444; 19.9444; 9.8918 90; 90; 120 | 3407.6 | C. D. Antoniadis; A. J. Blake; S. K. Hadjikakou; N. Hadjiliadis; P. Hubberstey; M. Schröder; C. Wilson Structural characterization of selenium and selenium-diiodine analogues of the antithyroid drug 6-<i>n</i>-propyl-2-thiouracil and its alkyl derivatives Acta Crystallographica Section B, 2006, 62, 580-591 |
| 2100561 | CIF Paper | La O3 Ti0.5 Zn0.5 | P 1 21/n 1 | 7.895; 5.5964; 5.5809 90; 90.034; 90 | 246.584 | R. Ubic; Y. Hu; I. Abrahams Neutron and electron diffraction studies of La(Zn~1/2~Ti~1/2~)O~3~ perovskite Acta Crystallographica Section B, 2006, 62, 521-529 |
| 2100562 | CIF Paper | C6 D10 O | P 1 21/n 1 | 11.7105; 7.1198; 6.8621 90; 95.5627; 90 | 569.443 | R. M. Ibberson The low-temperature phase III structure and phase transition behaviour of cyclohexanone Acta Crystallographica Section B, 2006, 62, 592-598 |
| 2100563 | CIF Paper | C4 H10 O | P -3 | 17.55; 17.55; 8.08 90; 90; 120 | 2155 | P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B, 2006, 62, 599-605 |
| 2100564 | CIF Paper | C4 H10 O | P -3 | 18.0946; 18.0946; 8.4041 90; 90; 120 | 2383 | P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C~4~H~10~O) Acta Crystallographica Section B, 2006, 62, 599-605 |
| 2100565 | CIF Paper | C4 H10 O | P -1 | 6.0631; 9.0661; 14.4494 85.248; 78.531; 75.8 | 754.136 | P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B, 2006, 62, 599-605 |
| 2100566 | CIF Paper | C4 H10 O | P -1 | 6.2027; 9.1431; 14.7554 86.373; 78.776; 76.363 | 797.53 | P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B, 2006, 62, 599-605 |
| 2100567 | CIF Paper | C4 H10 O | P -3 | 17.4389; 17.4389; 8.021 90; 90; 120 | 2112.5 | P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B, 2006, 62, 599-605 |
| 2100568 | CIF Paper | C4 H10 O | P -3 | 17.5898; 17.5898; 8.1014 90; 90; 120 | 2170.76 | P. A. McGregor; D. R. Allan; S. Parsons; S. J. Clark Hexamer formation in tertiary butyl alcohol (2-methyl-2-propanol, C4H10O) Acta Crystallographica, Section B, 2006, 62, 599-605 |
| 2100569 | CIF Paper | Ba Bi O3 | P 1 21/n 1 | 6.1741; 6.12484; 8.6522 90; 90.2691; 90 | 327.183 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100570 | CIF Paper | Ba Bi O3 | I 1 2/m 1 | 6.18505; 6.13219; 8.65846 90; 90.2288; 90 | 328.395 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100571 | CIF Paper | Ba Bi O3 | R -3 :H | 6.17944; 6.17944; 15.0393 90; 90; 120 | 497.344 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100572 | CIF Paper | Ba Bi O3 | F m -3 m | 8.77586; 8.77586; 8.77586 90; 90; 90 | 675.879 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100573 | CIF Paper | Ba2 Bi O6 Sb | I 1 2/m 1 | 6.06777; 6.01862; 8.50818 90; 90.2161; 90 | 310.713 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100574 | CIF Paper | Ba2 Bi O6 Sb | R -3 :H | 6.05716; 6.05716; 14.7813 90; 90; 120 | 469.658 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100575 | CIF Paper | Ba2 Bi O6 Sb | F m -3 m | 8.5793; 8.57934; 8.57934 90; 90; 90 | 631.48 | Kennedy, Brendan J.; Howard, Christopher J.; Knight, Kevin S.; Zhang, Zhaoming; Zhou, Qingdi Structures and phase transitions in the ordered double perovskites Ba~2~Bi^III^Bi^V^O~6~ and Ba~2~Bi^III^Sb^V^O~6~ Acta Crystallographica Section B, 2006, 62, 537-546 |
| 2100576 | CIF Paper | C12 H15 N3 O6 | P 63/m | 10.9992; 10.9992; 6.7639 90; 90; 120 | 708.68 | Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B, 2006, 62, 864-874 |
| 2100577 | CIF Paper | C9 H15 N3 O6 | P 21/n | 10.4105; 13.1294; 8.6735 90; 98.222; 90 | 1173.34 | Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B, 2006, 62, 864-874 |
| 2100578 | CIF Paper | C12 H15 N3 O6 | P 63/m | 10.983; 10.983; 6.7555 90; 90; 120 | 705.72 | Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B, 2006, 62, 864-874 |
| 2100579 | CIF Paper | C15 H18 O6 | P 61 | 11.3588; 11.3588; 20.2725 90; 90; 120 | 2265.18 | Tremayne, Maryjane; Kariuki, Benson M.; Chong, Samantha Y.; Seaton, Colin C. Molecular versus crystal symmetry in tri-substituted triazine, benzene and isocyanurate derivatives Acta Crystallographica, Section B, 2006, 62, 864-874 |
| 2100580 | CIF Paper | C9 H10 N2 O2 | P 1 21/n 1 | 4.8591; 14.395; 12.25 90; 92.151; 90 | 856.2 | Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C. Accurate molecular structures and hydrogen bonding in two polymorphs of <i>ortho</i>-acetamidobenzamide by single-crystal neutron diffraction Acta Crystallographica Section B, 2006, 62, 926-930 |
| 2100581 | CIF Paper | C9 H10 N2 O2 | P 1 21/c 1 | 7.788; 8.972; 12.547 90; 101.12; 90 | 860.2 | Broder, Charlotte K.; Barnett, Sarah A.; Gutmann, Matthias J.; Shankland, Kenneth; Wilson, Chick C. Accurate molecular structures and hydrogen bonding in two polymorphs of <i>ortho</i>-acetamidobenzamide by single-crystal neutron diffraction Acta Crystallographica Section B, 2006, 62, 926-930 |
| 2100582 | CIF Paper | C13 H9 I N2 O3 | P 1 21/c 1 | 13.1804; 7.5099; 13.8849 90; 111.163; 90 | 1281.68 | Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B, 2006, 62, 931-943 |
| 2100583 | CIF Paper | C13 H9 I N2 O3 | P 1 c 1 | 10.0528; 4.8703; 13.5719 90; 109.945; 90 | 624.63 | Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B, 2006, 62, 931-943 |
| 2100584 | CIF Paper | C13 H9 I N2 O3 | P 1 21 1 | 11.0552; 8.9521; 12.8921 90; 96.3899; 90 | 1267.97 | Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B, 2006, 62, 931-943 |
| 2100585 | CIF Paper | C13 H9 I N2 O3 | C 1 c 1 | 13.8494; 10.0495; 9.4203 90; 105.235; 90 | 1265.03 | Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B, 2006, 62, 931-943 |
| 2100586 | CIF Paper | C13 H9 I N2 O3 | P 1 21/n 1 | 7.4798; 14.0889; 11.8138 90; 93.259; 90 | 1242.95 | Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B, 2006, 62, 931-943 |
| 2100587 | CIF Paper | C13 H9 I N2 O3 | P -1 | 5.1047; 15.3015; 16.4806 95.356; 95.498; 91.15 | 1275.23 | Wardell, James L.; Low, John Nicolson; Skakle, Janet M.S.; Glidewell, Christopher Isomeric N-(iodophenyl)nitrobenzamides form different three-dimensional framework structures Acta Crystallographica, Section B, 2006, 62, 931-943 |
| 2100588 | CIF Paper | C11 H11 N O5 Zn | P -1 | 7.9853; 8.959; 9.055 103.228; 100.715; 99.844 | 604 | S. M. Hawxwell; H. Adams; L. Brammer Two-dimensional metal-organic frameworks containing linear dicarboxylates Acta Crystallographica Section B, 2006, 62, 808-814 |
| 2100589 | CIF Paper | C28 H24 O14 Zn3 | C 1 2/c 1 | 19.236; 10.588; 16.247 90; 109.109; 90 | 3126.7 | S. M. Hawxwell; H. Adams; L. Brammer Two-dimensional metal-organic frameworks containing linear dicarboxylates Acta Crystallographica Section B, 2006, 62, 808-814 |
| 2100590 | CIF Paper | C36 H44 N4 O18 Zn3 | P 1 21/c 1 | 12.968; 9.761; 18.336 90; 108.69; 90 | 2198.6 | S. M. Hawxwell; H. Adams; L. Brammer Two-dimensional metal-organic frameworks containing linear dicarboxylates Acta Crystallographica Section B, 2006, 62, 808-814 |
| 2100591 | CIF HKL Paper | C60 H66 N6 O18 Zn3 | P 1 21/n 1 | 11.777; 14.727; 19.487 90; 101.748; 90 | 3309 | S. M. Hawxwell; H. Adams; L. Brammer Two-dimensional metal-organic frameworks containing linear dicarboxylates Acta Crystallographica Section B, 2006, 62, 808-814 |
| 2100592 | CIF Paper | C3 D7 N O3 | P 21 21 21 | 8.3096; 8.595; 5.4647 90; 90; 90 | 390.29 | S. A. Moggach; W. G. Marshall; S. Parsons High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa Acta Crystallographica, Section B, 2006, 62, 815-825 |
| 2100593 | CIF Paper | C3 D7 N O3 | P 21 21 21 | 6.87; 9.6396; 5.6058 90; 90; 90 | 371.24 | S. A. Moggach; W. G. Marshall; S. Parsons High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa Acta Crystallographica, Section B, 2006, 62, 815-825 |
| 2100594 | CIF Paper | C3 D7 N O3 | P 21 21 21 | 6.6874; 9.5815; 5.5619 90; 90; 90 | 356.38 | S. A. Moggach; W. G. Marshall; S. Parsons High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa Acta Crystallographica, Section B, 2006, 62, 815-825 |
| 2100595 | CIF Paper | C3 D7 N O3 | P 21 21 21 | 6.5477; 9.5405; 5.6092 90; 90; 90 | 350.4 | S. A. Moggach; W. G. Marshall; S. Parsons High-pressure neutron diffraction study of L-serine-I and L-serine-II, and the structure of L-serine-III at 8.1 GPa Acta Crystallographica, Section B, 2006, 62, 815-825 |
| 2100596 | CIF Paper | C3 H4 K N3 O4 | C 1 2/m 1 | 11.037; 16.419; 7.1497 90; 103.68; 90 | 1258.9 | G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B, 2006, 62, 798-807 |
| 2100597 | CIF Paper | C3 H K2 N3 O3 | C m c m | 13.062; 6.62; 6.817 90; 90; 90 | 589.5 | G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B, 2006, 62, 798-807 |
| 2100598 | CIF Paper | C12 D17 K3 N12 O16 | C 1 2/m 1 | 12.8143; 16.3214; 11.8498 90; 97.52; 90 | 2457 | G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B, 2006, 62, 798-807 |
| 2100599 | CIF Paper | C12 D17 K3 N12 O16 | I 1 2/a 1 | 12.824; 16.332; 23.713 90; 97.514; 90 | 4923.8 | G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B, 2006, 62, 798-807 |
| 2100600 | CIF Paper | C12 H16 N12 O16 Rb3 | C 1 2/m 1 | 13.1499; 16.6185; 11.8444 90; 99.584; 90 | 2552.2 | G. S. Nichol; W. Clegg; M. J. Gutmann; D. M. Tooke Stoichiometry-dependent structures: an X-ray and neutron single-crystal diffraction study of the effect of reaction stoichiometry on the crystalline products formed in the potassium‒cyanurate system Acta Crystallographica Section B, 2006, 62, 798-807 |
| 2100601 | CIF Paper | C6 H10 O5 | P 21 21 21 | 6.6614; 13.3104; 7.4914 90; 90; 90 | 664.232 | L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study Acta Crystallographica, Section B, 2006, 62, 912-918 |
| 2100602 | CIF Paper | C6 H10 O5 | P 21 21 21 | 6.656; 13.314; 7.468 90; 90; 90 | 661.799 | L. Smrcok; M. Sládkovicová; V. Langer; C. C. Wilson; M. Koós On hydrogen bonding in 1,6-anhydro-β-D-glucopyranose (levoglucosan): X-ray and neutron diffraction and DFT study Acta Crystallographica, Section B, 2006, 62, 912-918 |
| 2100603 | CIF HKL Paper | C10 H8 | P 1 21/a 1 | 8.0348; 5.8899; 8.565 90; 123.59; 90 | 337.65 | F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene Acta Crystallographica Section B, 2006, 62, 826-842 |
| 2100604 | CIF HKL Paper | C10 H8 | P 1 21/a 1 | 7.9948; 5.8726; 8.542 90; 123.677; 90 | 333.74 | F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene Acta Crystallographica Section B, 2006, 62, 826-842 |
| 2100605 | CIF HKL Paper | C10 H8 | P 1 21/a 1 | 7.8523; 5.8106; 8.474 90; 124.027; 90 | 320.44 | F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene Acta Crystallographica Section B, 2006, 62, 826-842 |
| 2100606 | CIF HKL Paper | C10 H8 | P 1 21/a 1 | 7.6778; 5.721; 8.395 90; 124.55; 90 | 303.71 | F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene Acta Crystallographica Section B, 2006, 62, 826-842 |
| 2100607 | CIF HKL Paper | C16 H10 | P 1 21/a 1 | 15.35; 3.852; 8.65 90; 103.3; 90 | 498 | F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene Acta Crystallographica Section B, 2006, 62, 826-842 |
| 2100608 | CIF HKL Paper | C16 H10 | P 1 21/a 1 | 15.309; 3.8375; 8.3341 90; 102.606; 90 | 477.81 | F. P. A. Fabbiani; D. R. Allan; S. Parsons; C. R. Pulham Exploration of the high-pressure behaviour of polycyclic aromatic hydrocarbons: naphthalene, phenanthrene and pyrene Acta Crystallographica Section B, 2006, 62, 826-842 |
| 2100609 | CIF Paper | Al Ca Si | P -6 m 2 | 4.1772; 4.1772; 26.3246 90; 90; 120 | 397.8 | K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf Modulated corrugations in the crystal structure of the superconductor CaAlSi Acta Crystallographica, Section B, 2006, 62, 710-718 |
| 2100610 | CIF Paper | Al Ca Si | P -6 m 2 | 4.1772; 4.1772; 21.9372 90; 90; 120 | 331.5 | K. M. Sparta; R. Müller; M. Merz; G. Roth; P. Adelmann; T. Wolf Modulated corrugations in the crystal structure of the superconductor CaAlSi Acta Crystallographica, Section B, 2006, 62, 710-718 |
| 2100611 | CIF Paper | Ga0.444 O3.556 Ti1.444 | P2/m(\a1/2\g)00 | 4.0904; 2.9755; 4.7359 90; 90.2935; 90 | 57.6416 | Michiue, Yuichi; Yamamoto, Akiji; Tanaka, Masahiko Superspace description of the homologous series Ga~4~Ti~m-4~O~2m-2~ with the crystallographic shear structure based on rutile Acta Crystallographica, Section B, 2006, 62, 737-744 |
| 2100612 | CIF Paper | Cu0.299 Pb0.951 S3.357 Sb0.406 Sn0.851 | C -1 | 3.6733; 6.312; 11.9039 92.484; 90.687; 89.941 | 275.72 | M. Evain; V. Petricek; Y. Moëlo; C. Maurel First (3+2)-dimensional superspace approach to the structure of levyclaudite-(Sb), a member of the cylindrite-type minerals Acta Crystallographica Section B, 2006, 62, 775-789 |
| 2100613 | CIF Paper | C15 H12 O3 | C 1 2/c 1 | 27.299; 5.4343; 17.576 90; 116.215; 90 | 2339.2 | V. Bertolasi; L. Pretto; G. Gilli; P. Gilli π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs) Acta Crystallographica, Section B, 2006, 62, 850-863 |
| 2100614 | CIF Paper | C15 H11 Cl O3 | P 1 21/n 1 | 13.932; 5.3108; 17.878 90; 105.137; 90 | 1276.9 | V. Bertolasi; L. Pretto; G. Gilli; P. Gilli π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs) Acta Crystallographica, Section B, 2006, 62, 850-863 |
| 2100615 | CIF Paper | C16 H14 O3 | P c a 21 | 17.602; 6.8423; 21.662 90; 90; 90 | 2609 | V. Bertolasi; L. Pretto; G. Gilli; P. Gilli π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs) Acta Crystallographica, Section B, 2006, 62, 850-863 |
| 2100616 | CIF Paper | C16 H13 Cl O3 | P 1 21/n 1 | 14.147; 5.33; 18.618 90; 104.777; 90 | 1357.4 | V. Bertolasi; L. Pretto; G. Gilli; P. Gilli π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs) Acta Crystallographica, Section B, 2006, 62, 850-863 |
| 2100617 | CIF Paper | C14 H14 Cl N O6 | P -1 | 5.6849; 9.028; 14.8742 74.923; 83.543; 71.815 | 699.89 | V. Bertolasi; L. Pretto; G. Gilli; P. Gilli π-Bond cooperativity and anticooperativity effects in resonance-assisted hydrogen bonds (RAHBs) Acta Crystallographica, Section B, 2006, 62, 850-863 |
| 2100618 | CIF Paper | C45 H67 N9 O11 S | P 21 21 21 | 11.359; 18.383; 23.325 90; 90; 90 | 4871 | Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies Acta Crystallographica, Section B, 2006, 62, 889-896 |
| 2100619 | CIF Paper | C37 H48 N4 O4 S | P 1 21 1 | 14.0346; 9.8834; 25.617 90; 98.152; 90 | 3517.4 | Altamura, Maria R.; Dapporto Paolo; Fedi, Valentina; Giolitti, Alessandro; Guerri, Annalisa; Guidi, Antonio; Paoli, Paola; Rossi, Patrizia New monocyclic and acyclic hNK-2 antagonists retaining the β-turn feature. X-ray and molecular modelling studies Acta Crystallographica, Section B, 2006, 62, 889-896 |
| 2100620 | CIF Paper | C6 H31 N5 O15 P2 | P 1 21 1 | 7.851; 21.976; 11.332 90; 90; 90 | 1955.2 | Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate Acta Crystallographica, Section B, 2006, 62, 919-925 |
| 2100621 | CIF Paper | C6 H31 N5 O15 P2 | P 21 21 21 | 7.851; 21.976; 5.666 90; 90; 90 | 977.6 | Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate Acta Crystallographica, Section B, 2006, 62, 919-925 |
| 2100622 | CIF Paper | C6 H31 N5 O15 P2 | P 1 21 1 | 7.851; 22.048; 11.325 90; 90.04; 90 | 1960.3 | Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate Acta Crystallographica, Section B, 2006, 62, 919-925 |
| 2100623 | CIF Paper | C6 H31 N5 O15 P2 | P 1 21 1 | 7.855; 22.105; 11.317 90; 90.05; 90 | 1965 | Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate Acta Crystallographica, Section B, 2006, 62, 919-925 |
| 2100624 | CIF Paper | C6 H31 N5 O15 P2 | P 1 21 1 | 7.861; 22.163; 11.315 90; 90.06; 90 | 1971.3 | Hołyńska, Małgorzata; Bryndal, Iwona; Lis, Tadeusz Hypersymmetry in the crystal structure of triammonium bis(O-phospho-L-serinate) trihydrate Acta Crystallographica, Section B, 2006, 62, 919-925 |
| 2100625 | CIF Paper | H2 O4 P Tl | P 1 21/a 1 | 14.331; 4.535; 6.514 90; 91.67; 90 | 423.2 | Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G. Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature Acta Crystallographica, Section B, 2006, 62, 719-728 |
| 2100626 | CIF Paper | H2 O4 P Tl | P 1 21/a 1 | 14.26; 4.517; 6.497 90; 92.19; 90 | 418.2 | Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G. Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature Acta Crystallographica, Section B, 2006, 62, 719-728 |
| 2100627 | CIF Paper | H8 O16 P4 Tl4 | C -1 | 28.483; 9.016; 6.502 90.09; 92.21; 90.49 | 1668.4 | Oh, I.H.; Merz, M.; Mattauch, S.; Heger, G. Structural phase transition and hydrogen ordering of TlH~2~PO~4~ at low temperature Acta Crystallographica, Section B, 2006, 62, 719-728 |
| 2100628 | CIF Paper | Ag14.585 As0.337 Cu1.415 S8.341 Sb1.663 Se2.659 | P -3 m 1 | 7.595; 7.595; 12.0731 90; 90; 120 | 603.12 | M. Evain; L. Bindi; S. Menchetti Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2] Acta Crystallographica, Section B, 2006, 62, 768-774 |
| 2100629 | CIF Paper | Ag14.691 Cu1.309 S8.369 Sb2 Se2.631 | P 1 21/c 1 | 13.1426; 7.5879; 23.729 90; 90; 90 | 2366.4 | M. Evain; L. Bindi; S. Menchetti Structure and phase transition of the Se-rich variety of antimonpearceite, [(Ag,Cu)6(Sb,As)2(S,Se)7][Ag9Cu(S,Se)2Se2] Acta Crystallographica, Section B, 2006, 62, 768-774 |
| 2100630 | CIF Paper | C21 H18 O5 | P 1 21/c 1 | 8.367; 8.4724; 23.6852 90; 92.514; 90 | 1677.39 | R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone Acta Crystallographica, Section B, 2006, 62, 843-849 |
| 2100631 | CIF Paper | C22 H20 O5 | P 1 21/n 1 | 9.0604; 19.0147; 10.5963 90; 101.333; 90 | 1789.9 | R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone Acta Crystallographica, Section B, 2006, 62, 843-849 |
| 2100632 | CIF Paper | C52 H52 O10 | P n a 21 | 11.9602; 18.6249; 19.9648 90; 90; 90 | 4447.3 | R. Kingsford-Adaboh; B. Dittrich; C. B. Hübschle; W. S. K. Gbewonyo; H. Okamoto; M. Kimura; H. Ishida Invariom structure refinement, electrostatic potential and toxicity of 4-O-methylalpinumisoflavone, O,O-dimethylalpinumisoflavone and 5-O-methyl-4-O-(3-methylbut-2-en-1-yl)alpinumisoflavone Acta Crystallographica, Section B, 2006, 62, 843-849 |
| 2100633 | CIF Paper | C12 H36 Mo8 N4 O30 | P -1 | 12.3378; 14.417; 16.1439 100.927; 106.487; 104.11 | 2565 | M. Evain; V. Petricek; V. Coué; R. Dessapt; M. Bujoli-Doeuff; S. Jobic Commensurate (C6H14N2)2[Mo8O26]·4H2O and incommensurate (C6H14N2)2[Mo8O26]·4.66H2O: a structural versatility linked to solvent content Acta Crystallographica, Section B, 2006, 62, 790-797 |
| 2100634 | CIF Paper | C12 H37.32 Mo8 N4 O30.66 | P-1(\a\b\g)0 | 7.8907; 10.0855; 12.4131 113.685; 92.857; 101.244 | 878.2 | M. Evain; V. Petricek; V. Coué; R. Dessapt; M. Bujoli-Doeuff; S. Jobic Commensurate (C6H14N2)2[Mo8O26]·4H2O and incommensurate (C6H14N2)2[Mo8O26]·4.66H2O: a structural versatility linked to solvent content Acta Crystallographica, Section B, 2006, 62, 790-797 |
| 2100635 | CIF Paper | F3 Fe | R -3 c :H | 5.1979; 5.1979; 13.339 90; 90; 120 | 312.11 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
| 2100636 | CIF Paper | C W | P -6 m 2 | 2.9034; 2.9034; 2.8397 90; 90; 120 | 20.731 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100637 | CIF Paper | Ni | F m -3 m | 3.5451; 3.5451; 3.5451 90; 90; 90 | 44.56 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100638 | CIF Paper | F3 Fe | R -3 c :H | 5.0094; 5.0094; 13.3971 90; 90; 120 | 291.15 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
| 2100639 | CIF Paper | C W | P -6 m 2 | 2.9039; 2.9039; 2.8293 90; 90; 120 | 20.662 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100640 | CIF Paper | Ni | F m -3 m | 3.5359; 3.5359; 3.5359 90; 90; 90 | 44.21 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100641 | CIF Paper | F3 Fe | R -3 c :H | 4.919; 4.919; 13.4307 90; 90; 120 | 281.44 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
| 2100642 | CIF Paper | C W | P -6 m 2 | 2.896; 2.896; 2.8389 90; 90; 120 | 20.62 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100643 | CIF Paper | Ni | F m -3 m | 3.5315; 3.5315; 3.5315 90; 90; 90 | 44.04 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100644 | CIF Paper | F3 Fe | R -3 c :H | 4.7683; 4.7683; 13.4386 90; 90; 120 | 264.61 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
| 2100645 | CIF Paper | C W | P -6 m 2 | 2.8934; 2.8934; 2.8315 90; 90; 120 | 20.528 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100646 | CIF Paper | Ni | F m -3 m | 3.5251; 3.5251; 3.5251 90; 90; 90 | 43.8 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100647 | CIF Paper | F3 Fe | R -3 c :H | 4.6866; 4.6866; 13.3677 90; 90; 120 | 254.27 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
| 2100648 | CIF Paper | C W | P -6 m 2 | 2.89; 2.89; 2.8212 90; 90; 120 | 20.406 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100649 | CIF Paper | Ni | F m -3 m | 3.5194; 3.5194; 3.5194 90; 90; 90 | 43.59 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100650 | CIF Paper | F3 Fe | R -3 c :H | 5.1145; 5.1145; 13.347 90; 90; 120 | 302.36 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
| 2100651 | CIF Paper | C W | P -6 m 2 | 2.9036; 2.9036; 2.828 90; 90; 120 | 20.646 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100652 | CIF Paper | Ni | F m -3 m | 3.54; 3.5398; 3.5398 90; 90; 90 | 44.36 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100653 | CIF Paper | F3 Fe | R -3 c :H | 4.9636; 4.9636; 13.419 90; 90; 120 | 286.32 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
| 2100654 | CIF Paper | C W | P -6 m 2 | 2.9017; 2.9017; 2.834 90; 90; 120 | 20.668 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100655 | CIF Paper | Ni | F m -3 m | 3.533; 3.5327; 3.5327 90; 90; 90 | 44.09 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100656 | CIF Paper | F3 Fe | R -3 c :H | 4.84; 4.84; 13.4413 90; 90; 120 | 272.69 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
| 2100657 | CIF Paper | C W | P -6 m 2 | 2.8991; 2.8991; 2.834 90; 90; 120 | 20.624 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100658 | CIF Paper | Ni | F m -3 m | 3.532; 3.5316; 3.5316 90; 90; 90 | 44.04 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100659 | CIF Paper | F3 Fe | R -3 c :H | 4.7202; 4.7202; 13.411 90; 90; 120 | 258.77 | Jørgensen, Jens-Erik; Smith, R. I. On the compression mechanism of FeF~3~ Acta Crystallographica Section B, 2006, 62, 987-992 |
| 2100660 | CIF Paper | C W | P -6 m 2 | 2.889; 2.889; 2.827 90; 90; 120 | 20.434 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100661 | CIF Paper | Ni | F m -3 m | 3.521; 3.5206; 3.5206 90; 90; 90 | 43.64 | Jørgensen, Jens-Erik; Smith, R. I. On the Compression Mechanism of FeF3 Acta Crystallographica, Section B, 2006, 62, 987-992 |
| 2100662 | CIF HKL Paper | C3 H5 Cl3 | P 1 21/n 1 | 5.1404; 11.363; 9.885 90; 96.21; 90 | 574 | Marcin Podsiad{λ}o; Andrzej Katrusiak Pressure-frozen 1,2,3-trichloropropane Acta Crystallographica Section B, 2006, 62, 1071-1077 |
| 2100663 | CIF HKL Paper | C3 H5 Cl3 | P 1 21/n 1 | 5.1285; 11.377; 9.859 90; 96.13; 90 | 571.95 | Marcin Podsiad{λ}o; Andrzej Katrusiak Pressure-frozen 1,2,3-trichloropropane Acta Crystallographica Section B, 2006, 62, 1071-1077 |
| 2100664 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 5.065; 7.181; 5.508 90; 115.07; 90 | 181.46 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2100665 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 5.07; 7.185; 5.501 90; 115.11; 90 | 181.45 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2100666 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 5.102; 7.197; 5.535 90; 115.18; 90 | 183.93 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2100667 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 5.078; 7.204; 5.528 90; 115.24; 90 | 182.9 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2100668 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 4.949; 7.704; 4.96 90; 116.7; 90 | 168.9 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2100669 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 4.82; 7.563; 4.873 90; 114.5; 90 | 162 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2100670 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 9.69; 7.488; 4.849 90; 114; 90 | 321 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2100671 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 5.1; 5.212; 7.262 90; 111.6; 90 | 179.5 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2100672 | CIF Paper | C2 H8 N2 | P 1 21/c 1 | 5.031; 5.132; 7.167 90; 110.6; 90 | 173.2 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2100673 | CIF HKL Paper | C2 H8 N2 | P 1 21/c 1 | 4.9921; 5.137; 7.2 90; 110.87; 90 | 172.53 | Budzianowski, Armand; Olejniczak, Anna; Katrusiak, Andrzej Competing hydrogen-bonding patterns and phase transitions of 1,2-diaminoethane at varied temperature and pressure Acta Crystallographica Section B, 2006, 62, 1078-1089 |
| 2100674 | CIF Paper | As Ga O4 | P 3 | 8.2033195; 8.2033195; 4.3941092 90; 90; 120 | 256.083 | Santamaría-Pérez, David; Haines, Julien; Amador, Ulises; Morán, Emilio; Vegas, Angel Structural characterization of a new high-pressure phase of GaAsO~4~ Acta Crystallographica Section B, 2006, 62, 1019-1024 |
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