Information card for entry 2232048

Structure parameters

• Chemical name: Aquachloridobis(2-ethoxy-6-formylphenolato- κ^2^<i>O</i>^1^,<i>O</i>^6^)chromium(III) acetonitrile hemisolvate
• Formula: C19 H21.5 Cl Cr N0.5 O7
• Calculated formula: C19 H21.5 Cl Cr N0.5 O7
• Title of publication: Aquachloridobis(2-ethoxy-6-formylphenolato-κ^2^<i>O</i>^1^,<i>O</i>^6^)chromium(III) acetonitrile hemisolvate
• Authors of publication: Ghelenji, Safoora; Kargar, Hadi; Sharafi, Zahra; Kia, Reza
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 10
• Pages of publication: m1393
• a: 19.292 ± 0.003 Å
• b: 10.1211 ± 0.001 Å
• c: 20.953 ± 0.003 Å
• α: 90°
• β: 91.824 ± 0.011°
• γ: 90°
• Cell volume: 4089.1 ± 1 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1399
• Residual factor for significantly intense reflections: 0.0508
• Weighted residual factors for significantly intense reflections: 0.0639
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 0.801
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes