Information card for entry 7001075

Structure parameters

• Formula: C64.66 H70.31 B3 Cl1.31 F8 Mn Mo N7 O6 P3
• Calculated formula: C64.655 H70.31 B3 Cl1.31 F8 Mn Mo N7 O6 P3
• Title of publication: The effect of redox-active cyanomanganese(I) ligands on intramolecular electron transfer to, and alkyne alignment in, M(CO)(RCCR)Tp′ (M = Mo or W) units
• Authors of publication: Adams, Christopher J.; Connelly, Neil G.; Onganusorn, Sriwipha
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 16
• Pages of publication: 3062 - 3073
• a: 23.922 ± 0.005 Å
• b: 12.909 ± 0.003 Å
• c: 24.742 ± 0.005 Å
• α: 90°
• β: 113.82 ± 0.03°
• γ: 90°
• Cell volume: 6990 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 10
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.2821
• Residual factor for significantly intense reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.1593
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 0.765
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No