Information card for entry 5000310

Structure parameters

• Formula: C123 H199.5 Cl9.5 Mn8 N8 O44.75
• Calculated formula: C132.02 H120.08 Cl9.44 Mn8 N8 O40
• Title of publication: Bis(bipyridine) Ligands in Manganese Carboxylate Cluster Chemistry: Self-Assembly of a Cluster Complex with Two Butterfly-Like [Mn~4~(μ3^-^O)~2~]^8+^ Cores
• Authors of publication: Knapp, Michael J.; Hendrickson, David N.; Grillo, Vincent A.; Bollinger, John C.; Christou, George
• Journal of publication: Angewandte Chemie, International Edition
• Year of publication: 1996
• Journal volume: 35
• Journal issue: 16
• Pages of publication: 1818 - 1820
• a: 22.189 ± 0.004 Å
• b: 32.402 ± 0.006 Å
• c: 22.521 ± 0.004 Å
• α: 90°
• β: 115.6 ± 0.004°
• γ: 90°
• Cell volume: 14602.4 ± 4.6 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1635
• Residual factor for significantly intense reflections: 0.0914
• Weighted residual factors for all reflections: 0.2025
• Weighted residual factors for significantly intense reflections: 0.1777
• Goodness-of-fit parameter for all reflections: 1.49
• Goodness-of-fit parameter for significantly intense reflections: 1.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No