Information card for entry 4510166

Structure parameters

• Formula: C72 H78 B54 Co3 Cu6 O30
• Calculated formula: C72 H78 B54 Co3 Cu6 O30
• Title of publication: Metallacarborane-Based Metal‒Organic Framework with a Complex Topology
• Authors of publication: Kennedy, Robert D.; Clingerman, Daniel J.; Morris, William; Wilmer, Christopher E.; Sarjeant, Amy A.; Stern, Charlotte L.; O’Keeffe, Michael; Snurr, Randall Q.; Hupp, Joseph T.; Farha, Omar K.; Mirkin, Chad A.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 1324
• a: 36.549 ± 0.003 Å
• b: 38.148 ± 0.003 Å
• c: 55.536 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 77432 ± 10 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 71
• Hermann-Mauguin space group symbol: I m m m
• Hall space group symbol: -I 2 2
• Residual factor for all reflections: 0.1358
• Residual factor for significantly intense reflections: 0.0939
• Weighted residual factors for significantly intense reflections: 0.2551
• Weighted residual factors for all reflections included in the refinement: 0.272
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No