Information card for entry 2212711

Structure parameters

• Chemical name: (Acetylacetonato-κ^2^O,O')(oxalato-κ^2^O,O')(1,10-phenanthroline- κ^2^N,N')chromium(III) trihydrate
• Formula: C19 H21 Cr N2 O9
• Calculated formula: C19 H21 Cr N2 O9
• SMILES: [Cr]123([n]4cccc5ccc6ccc[n]1c6c45)(OC(=O)C(=O)O2)OC(=CC(=[O]3)C)C.O.O.O
• Title of publication: (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(oxalato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')chromium(III) trihydrate
• Authors of publication: Wang, Wen-Bo; Yang, Li-Xin; Chen, Fang-Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: m701 - m703
• a: 11.7433 ± 0.0006 Å
• b: 10.745 ± 0.0006 Å
• c: 16.6607 ± 0.0009 Å
• α: 90°
• β: 90.039 ± 0.001°
• γ: 90°
• Cell volume: 2102.3 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• 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: 0.033
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes