Information card for entry 2219284

Structure parameters

• Chemical name: trans-Aqua(4,7-diazadecane-1,10-diamine-κ^4^N)fluoridochromium(III) bis(perchlorate) monohydrate
• Formula: C8 H26 Cl2 Cr F N4 O10
• Calculated formula: C8 H24 Cl2 Cr F N4 O10
• SMILES: [Cr]123(F)([NH](CCC[NH2]3)CC[NH]1CCC[NH2]2)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: <i>trans</i>-Aqua(4,7-diazadecane-1,10-diamine-κ^4^<i>N</i>)fluoridochromium(III) bis(perchlorate) monohydrate
• Authors of publication: Choi, Jong-Ha; Lee, Uk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 9
• Pages of publication: m1186
• a: 9.95 ± 0.001 Å
• b: 16.893 ± 0.002 Å
• c: 12.008 ± 0.001 Å
• α: 90°
• β: 108.65 ± 0.01°
• γ: 90°
• Cell volume: 1912.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• 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: 0.1054
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.1964
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes