Information card for entry 7117664

Structure parameters

• Formula: C36 H34 Cl4 Mn6 O4 P4
• Calculated formula: C36 H34 Cl4 Mn6 O4 P4
• Title of publication: The synthesis of the heterocubane cluster [{CpMn}4(mu3-P)4] as a tetrahedral shaped starting material for the formation of polymeric coordination compounds
• Authors of publication: Sebastian Heinl; Konrad Kiefer; Gabor Balazs; Claudia Wickleder; Manfred Scheer
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 13474
• a: 10.5319 ± 0.0004 Å
• b: 10.8158 ± 0.0006 Å
• c: 18.0191 ± 0.0008 Å
• α: 77.832 ± 0.004°
• β: 80.265 ± 0.004°
• γ: 85.858 ± 0.004°
• Cell volume: 1976.14 ± 0.16 ų
• Cell temperature: 123 ± 0.1 K
• Ambient diffraction temperature: 123 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0886
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No