Information card for entry 8102326

Structure parameters

• Chemical name: diaqua-dichloro(1,10-phenanthroline)-chromium(iii) chloride dihydrate
• Formula: C12 H16 Cl3 Cr N2 O4
• Calculated formula: C12 H16 Cl3 Cr N2 O4
• Title of publication: Crystal structure of diaquadichloro(1,10-phenanthroline)chromium(III) chloride dihydrate, [CrCl2(C12H8N2)(H2O)2]Cl · 2H2O
• Authors of publication: Yong-Li Yang; Feng-Ge Li; Qing-Juan Zhang; Yan-Feng Ding; Yu-Heng Deng
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 409
• a: 6.851 ± 0.002 Å
• b: 11.716 ± 0.004 Å
• c: 21.283 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1708.3 ± 1 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0439
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1339
• Weighted residual factors for all reflections included in the refinement: 0.1393
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No