Information card for entry 7108696

Structure parameters

• Formula: C36 H96 Cl2 Mn6 N0 O32 P8
• Calculated formula: C36 H80 Cl2.04 Mn6 O32 P8
• Title of publication: Supramolecular approaches to metal-organic gels using ‘Chevrel-type’ coordination clusters as building units
• Authors of publication: Lei Zhang; Bartosz Marzec; Rodolphe Clerac; Yanhui Chen; Hongzhou Zhang; Wolfgang Schmitt
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 66
• a: 14.133 ± 0.002 Å
• b: 14.133 ± 0.002 Å
• c: 21.552 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4304.8 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 87
• Hermann-Mauguin space group symbol: I 4/m
• Hall space group symbol: -I 4
• Residual factor for all reflections: 0.0661
• Residual factor for significantly intense reflections: 0.0631
• Weighted residual factors for significantly intense reflections: 0.1816
• Weighted residual factors for all reflections included in the refinement: 0.185
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No