Information card for entry 2222980

Structure parameters

• Chemical name: Aqua(2,2'-bipyridine)trifluoridochromium(III) dihydrate
• Formula: C10 H14 Cr F3 N2 O3
• Calculated formula: C10 H14 Cr F3 N2 O3
• SMILES: [Cr]1(F)(F)(F)([n]2ccccc2c2[n]1cccc2)[OH2].O.O
• Title of publication: Aqua(2,2'-bipyridine)trifluoridochromium(III) dihydrate
• Authors of publication: Liu, Hai-Xing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 9
• Pages of publication: m1093
• a: 9.01 ± 0.0018 Å
• b: 7.417 ± 0.0015 Å
• c: 20.759 ± 0.006 Å
• α: 90°
• β: 112.35 ± 0.03°
• γ: 90°
• Cell volume: 1283.1 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.123
• Weighted residual factors for all reflections included in the refinement: 0.129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes