Information card for entry 2240440

Structure parameters

• Chemical name: <i>cis</i>-Aquachloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')chromium(III) tetrachloridozincate monohydrate
• Formula: C24 H20 Cl5 Cr N4 O2 Zn
• Calculated formula: C24 H20 Cl5 Cr N4 O2 Zn
• SMILES: [Cr]12(Cl)([OH2])([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.[Zn](Cl)(Cl)([Cl-])[Cl-].O
• Title of publication: Crystal structure of <i>cis</i>-aquachloridobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')chromium(III) tetrachloridozincate monohydrate from synchrotron data
• Authors of publication: Moon, Dohyun; Choi, Jong-Ha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 3
• Pages of publication: 288 - 290
• a: 8.271 ± 0.0017 Å
• b: 19.535 ± 0.004 Å
• c: 16.934 ± 0.003 Å
• α: 90°
• β: 100.55 ± 0.03°
• γ: 90°
• Cell volume: 2689.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0426
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.62998 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes