Information card for entry 4328473

Structure parameters

• Formula: C45 H114 Cl20 Mn N12 S13 Zn13
• Calculated formula: C45 H114 Cl20 Mn N12 S13 Zn13
• Title of publication: Zinc Chalcogenolate Complexes as Precursors to ZnE and Mn/ZnE (E = S, Se) Clusters
• Authors of publication: Chhatra B. Khadka; Andreas Eichhöfer; Florian Weigend; John F. Corrigan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2747 - 2756
• a: 13.5003 ± 0.0007 Å
• b: 13.7288 ± 0.0007 Å
• c: 28.6237 ± 0.0014 Å
• α: 99.918 ± 0.002°
• β: 93.06 ± 0.003°
• γ: 93.835 ± 0.002°
• Cell volume: 5202.8 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.105
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1082
• Weighted residual factors for all reflections included in the refinement: 0.1245
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No