Information card for entry 2225011

Structure parameters

• Chemical name: <i>cis</i>-Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')fluoridochromium(III) bis(perchlorate) dihydrate
• Formula: C20 H22 Cl2 Cr F N4 O11
• Calculated formula: C20 H22 Cl2 Cr F N4 O11
• SMILES: [Cr]12([n]3ccccc3c3[n]2cccc3)([n]2c(c3[n]1cccc3)cccc2)(F)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: <i>cis</i>-Aquabis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')fluoridochromium(III) bis(perchlorate) dihydrate
• Authors of publication: Birk, Torben; Bendix, Jesper
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m121 - m122
• a: 9.577 ± 0.001 Å
• b: 11.405 ± 0.0006 Å
• c: 11.815 ± 0.0011 Å
• α: 77.273 ± 0.006°
• β: 79.427 ± 0.009°
• γ: 83.59 ± 0.005°
• Cell volume: 1234.01 ± 0.19 ų
• Cell temperature: 122 ± 1 K
• Ambient diffraction temperature: 122 ± 2 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: 0.0287
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0686
• Weighted residual factors for all reflections included in the refinement: 0.0703
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes