Information card for entry 2215608

Structure parameters

• Chemical name: (Oxalato-κ^2^<i>O</i>,<i>O</i>')bis(propane-1,3-diamine- κ^2^<i>N</i>,<i>N</i>')chromium(III) chloride monohydrate
• Formula: C8 H22 Cl Cr N4 O5
• Calculated formula: C8 H22 Cl Cr N4 O5
• SMILES: [Cr]123(OC(=O)C(=O)O1)([NH2]CCC[NH2]2)[NH2]CCC[NH2]3.[Cl-].O
• Title of publication: (Oxalato-κ^2^<i>O</i>,<i>O</i>')bis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')chromium(III) chloride monohydrate
• Authors of publication: Zhang, Li-Fang; Kou, Jian-Yi; Kou, Hui-Zhong
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2457 - m2458
• a: 8.9532 ± 0.0017 Å
• b: 12.038 ± 0.002 Å
• c: 13.645 ± 0.003 Å
• α: 90°
• β: 99.973 ± 0.014°
• γ: 90°
• Cell volume: 1448.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0269
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0708
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes