Information card for entry 7005831

Structure parameters

• Formula: C50.5 H56 Cl3 F6 Mn2 N3 O6 P4
• Calculated formula: C50.5 H56 Cl3 F6 Mn2 N3 O6 P4
• Title of publication: The effect of micro-CN linkage isomerism and ancillary ligand set on directional metal-metal charge-transfer in cyanide-bridged dimanganese complexes.
• Authors of publication: Adams, Christopher J.; Anderson, Kirsty M.; Connelly, Neil G.; Llamas-Rey, Estefania; Orpen, A. Guy; Paul, Rowena L.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 33
• Pages of publication: 3609 - 3622
• a: 9.9087 ± 0.0006 Å
• b: 12.8321 ± 0.0008 Å
• c: 22.7982 ± 0.0014 Å
• α: 86.824 ± 0.001°
• β: 86.597 ± 0.001°
• γ: 79.134 ± 0.001°
• Cell volume: 2838.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1368
• Weighted residual factors for all reflections included in the refinement: 0.1649
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No