Information card for entry 7108693

Structure parameters

• Formula: C68 H116 Cl2 Mn6 N6 O25 P8
• Calculated formula: C68 H114 Cl2 Mn6 N6 O25 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: 21.244 ± 0.002 Å
• b: 21.244 ± 0.002 Å
• c: 21.244 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9587.6 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0966
• Residual factor for significantly intense reflections: 0.0934
• Weighted residual factors for significantly intense reflections: 0.2004
• Weighted residual factors for all reflections included in the refinement: 0.2019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No