Information card for entry 2238571

Structure parameters

• Chemical name: <i>trans</i>-Difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III) perchlorate
• Formula: C20 H20 Cl Cr F2 N4 O4
• Calculated formula: C20 H20 Cl Cr F2 N4 O4
• SMILES: F[Cr](F)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1.[O-]Cl(=O)(=O)=O
• Title of publication: <i>trans</i>-Difluoridotetrakis(pyridine-κ<i>N</i>)chromium(III) perchlorate from synchrotron radiation
• Authors of publication: Moon, Dohyun; Choi, Jong-Ha
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 9
• Pages of publication: m514
• a: 9.569 ± 0.0019 Å
• b: 10.615 ± 0.002 Å
• c: 12.663 ± 0.003 Å
• α: 68.46 ± 0.03°
• β: 68.31 ± 0.03°
• γ: 79.38 ± 0.03°
• Cell volume: 1109.9 ± 0.5 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 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: 0.0444
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.63001 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes