Information card for entry 7108694

Structure parameters

• Formula: C62 H112 Cl5 Mn7 N6 O29 P8
• Calculated formula: C62 H102 Cl5 Mn7 N6 O25.5 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: 24.577 ± 0.005 Å
• b: 35.726 ± 0.007 Å
• c: 14.376 ± 0.003 Å
• α: 90°
• β: 103.59 ± 0.03°
• γ: 90°
• Cell volume: 12269 ± 5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1451
• Residual factor for significantly intense reflections: 0.1093
• Weighted residual factors for significantly intense reflections: 0.3338
• Weighted residual factors for all reflections included in the refinement: 0.3693
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No