Information card for entry 2204121

Structure parameters

• Chemical name: fac-(bromo/chloro)tricarbonyl[1,3-bis(diphenylphosphino)propane]manganese(I)
• Formula: C30 H26 Br0.3 Cl0.7 Mn O3 P2
• Calculated formula: C30 H26 Br0.3 Cl0.7 Mn O3 P2
• Title of publication: A mixed-halogen tricarbonylmanganese(I) complex: <i>fac</i>-[MnBr~0.3~Cl~0.7~{Ph~2~P(CH~2~)~3~PPh~2~}(CO)~3~]
• Authors of publication: Light, Mark E.; Hursthouse, Michael B.; Beckett, Michael A.; Brassington, David S.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 9
• Pages of publication: m1245 - m1247
• a: 10.0022 ± 0.0001 Å
• b: 20.6821 ± 0.0003 Å
• c: 13.732 ± 0.0002 Å
• α: 90°
• β: 106.09 ± 0.001°
• γ: 90°
• Cell volume: 2729.41 ± 0.06 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0627
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No