Information card for entry 2234192

Structure parameters

• Chemical name: Aquachlorido(3,5-dinitro-2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(1,10- phenanthroline-κ^2^<i>N</i>,<i>N</i>')chromium(III)
• Formula: C19 H12 Cl Cr N4 O8
• Calculated formula: C19 H12 Cl Cr N4 O8
• SMILES: [Cr]12(Cl)([n]3cccc4c3c3c(cc4)ccc[n]13)(OC(=O)c1c(c(cc(c1)N(=O)=O)N(=O)=O)O2)[OH2]
• Title of publication: Aquachlorido(3,5-dinitro-2-oxidobenzoato-κ^2^<i>O</i>^1^,<i>O</i>^2^)(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')chromium(III)
• Authors of publication: Meng, Zhao-Hui; Lian, Hui; Zhang, Shu-Shen; Feng, Yu-Quan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m388
• a: 13.868 ± 0.007 Å
• b: 16.158 ± 0.008 Å
• c: 9.348 ± 0.005 Å
• α: 90°
• β: 105.947 ± 0.009°
• γ: 90°
• Cell volume: 2014.1 ± 1.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.107
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1609
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes