Information card for entry 2241535

Structure parameters

• Chemical name: <i>cis</i>-Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridochromium(III) tetrachloridozincate
• Formula: C20 H18 Cl5 Cr N4 O Zn
• Calculated formula: C20 H18 Cl5 Cr N4 O Zn
• SMILES: [Cr]12(Cl)([OH2])([n]3ccccc3c3[n]1cccc3)[n]1ccccc1c1[n]2cccc1.[Zn](Cl)(Cl)([Cl-])[Cl-]
• Title of publication: Crystal structure of <i>cis</i>-aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')chloridochromium(III) tetrachloridozincate determined from synchrotron data
• Authors of publication: Moon, Dohyun; Ryoo, Keon Sang; Choi, Jong-Ha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 3
• Pages of publication: 280 - 282
• a: 9.611 ± 0.0019 Å
• b: 14.837 ± 0.003 Å
• c: 17.283 ± 0.004 Å
• α: 90°
• β: 94.93 ± 0.03°
• γ: 90°
• Cell volume: 2455.4 ± 0.9 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.6 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes