Information card for entry 7016548

Structure parameters

• Formula: C25 H31 Cl4 F6 Mn N7 O2 P
• Calculated formula: C25 H31 Cl4 F6 Mn N7 O2 P
• Title of publication: The co-ordination chemistry of tris(3,5-dimethylpyrazolyl)methane manganese carbonyl complexes: Synthetic, electrochemical and DFT studies.
• Authors of publication: Hallett, Andrew J.; Angharad Baber, R.; Guy Orpen, A.; Ward, Benjamin D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 36
• Pages of publication: 9276 - 9283
• a: 12.5498 ± 0.0018 Å
• b: 14.15 ± 0.002 Å
• c: 19.981 ± 0.003 Å
• α: 90°
• β: 100.07 ± 0.003°
• γ: 90°
• Cell volume: 3493.6 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.1361
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1434
• Weighted residual factors for all reflections included in the refinement: 0.1772
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No