Information card for entry 7117665

Structure parameters

• Formula: C85 H76 Cl6 Mn14 O12 P8
• Calculated formula: C85 H76 Cl6 Mn14 O12 P8
• 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: 10.3548 ± 0.0002 Å
• b: 10.5563 ± 0.0001 Å
• c: 20.4728 ± 0.0003 Å
• α: 79.072 ± 0.001°
• β: 82.668 ± 0.001°
• γ: 83.529 ± 0.001°
• Cell volume: 2170.28 ± 0.06 ų
• Cell temperature: 123.01 ± 0.1 K
• Ambient diffraction temperature: 123.01 ± 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: 0.0398
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.1004
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No