Information card for entry 2217678

Structure parameters

• Chemical name: <i>cis</i>-Difluorido(1,10-phenanthroline)chromium(III) perchlorate monohydrate
• Formula: C24 H18 Cl Cr F2 N4 O5
• Calculated formula: C24 H18 Cl Cr F2 N4 O5
• SMILES: [Cr]12(F)(F)([n]3c4c5[n]2cccc5ccc4ccc3)[n]2c3c4[n]1cccc4ccc3ccc2.Cl(=O)(=O)(=O)[O-].O
• Title of publication: <i>cis</i>-Difluoridobis(1,10-phenanthroline)chromium(III) perchlorate monohydrate
• Authors of publication: Birk, Torben; Bendix, Jesper; Weihe, Högni
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 2
• Pages of publication: m369 - m370
• a: 7.693 ± 0.001 Å
• b: 9.464 ± 0.0008 Å
• c: 16.061 ± 0.0017 Å
• α: 79.75 ± 0.007°
• β: 83.228 ± 0.012°
• γ: 88.115 ± 0.008°
• Cell volume: 1142.6 ± 0.2 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0324
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.1419
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 1.41
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes