Information card for entry 4332298

Structure parameters

• Formula: C66 H100 Mn2 Mo4 N8 O12 S12
• Calculated formula: C60 H76 Mn2 Mo4 N8 O6 S12
• Title of publication: Assembly of Heterometallic Clusters and Coordination Polymers by Combining Mo−S-Based Clusters with Mn2+
• Authors of publication: Lin, Ping; Clegg, William; Harrington, Ross W.; Henderson, Richard A.; Fletcher, Ashleigh J.; Bell, Jon; Thomas, K. Mark
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4284 - 4302
• a: 11.9446 ± 0.0011 Å
• b: 12.1041 ± 0.0009 Å
• c: 17.342 ± 0.0018 Å
• α: 89.331 ± 0.009°
• β: 84.978 ± 0.011°
• γ: 63.933 ± 0.008°
• Cell volume: 2242.6 ± 0.4 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: 0.0576
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1137
• Weighted residual factors for all reflections included in the refinement: 0.1212
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No