Information card for entry 2218241

Structure parameters

• Chemical name: Chlorido(chlorodifluoroacetato-κO)bis(1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')manganese(II)
• Formula: C26 H16 Cl2 F2 Mn N4 O2
• Calculated formula: C26 H16 Cl2 F2 Mn N4 O2
• SMILES: [Mn]12(Cl)(OC(=O)C(Cl)(F)F)([n]3c4c(ccc3)ccc3ccc[n]1c43)[n]1c3c(ccc1)ccc1ccc[n]2c31
• Title of publication: Chlorido(chlorodifluoroacetato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')manganese(II)
• Authors of publication: Lo, Kong Mun; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m709
• a: 16.8822 ± 0.0004 Å
• b: 10.3781 ± 0.0003 Å
• c: 14.8364 ± 0.0005 Å
• α: 90°
• β: 108.813 ± 0.002°
• γ: 90°
• Cell volume: 2460.54 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0905
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1648
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes