Information card for entry 4510168

Structure parameters

• Formula: C84 H134 B36 Co2 Cs2 O29
• Calculated formula: C84 H134 B36 Co2 Cs2 O29
• 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: 10.7991 ± 0.0005 Å
• b: 13.1642 ± 0.0006 Å
• c: 21.7471 ± 0.0009 Å
• α: 82.24 ± 0.002°
• β: 76.013 ± 0.002°
• γ: 76.535 ± 0.002°
• Cell volume: 2907.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0454
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.1241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No