Information card for entry 4001336

Structure parameters

• Formula: C54 H78 Cl12 Mn3 N17 Nb6 O6
• Calculated formula: C54 H66 Cl12 Mn3 N17 Nb6 O6
• Title of publication: Inorganic Crystal Engineering through Cation Metathesis: One-, Two-, and Three-Dimensional Cluster-Based Coordination Polymers
• Authors of publication: Zhou, Huajun; Strates, Konstantia C.; Muñoz, Miguel Á.; Little, Kevin J.; Pajerowski, Daniel M.; Meisel, Mark W.; Talham, Daniel R.; Lachgar, Abdessadek
• Journal of publication: Chemistry of Materials
• Year of publication: 2007
• Journal volume: 19
• Journal issue: 9
• Pages of publication: 2238
• a: 26.465 ± 0.005 Å
• b: 15.578 ± 0.003 Å
• c: 21.87 ± 0.004 Å
• α: 90°
• β: 111.31 ± 0.03°
• γ: 90°
• Cell volume: 8400 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1113
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.1335
• Weighted residual factors for all reflections included in the refinement: 0.1519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No