Information card for entry 7005832

Structure parameters

• Formula: C62 H63 Cl2 F6 Mn2 N3 O6 P4
• Calculated formula: C62 H63 Cl2 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: 13.651 ± 0.002 Å
• b: 14.574 ± 0.003 Å
• c: 18.143 ± 0.003 Å
• α: 68.629 ± 0.003°
• β: 79.22 ± 0.003°
• γ: 71.517 ± 0.003°
• Cell volume: 3177.5 ± 1 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: 0.2068
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.1866
• Weighted residual factors for all reflections included in the refinement: 0.2493
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No