Information card for entry 7112940

Structure parameters

• Formula: C76 H57.5 Ca0.2 Co4 N8 O19
• Calculated formula: C76 H52 Ca0.2 Co4 N8 O19
• Title of publication: An unusual ten-connected self-penetrating metal-organic framework based on tetranuclear cobalt clusters.
• Authors of publication: Yang, Jin; Li, Bo; Ma, Jian-Fang; Liu, Ying-Ying; Zhang, Jing-Ping
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 44
• Pages of publication: 8383 - 8385
• a: 15.414 ± 0.005 Å
• b: 15.591 ± 0.005 Å
• c: 16.26 ± 0.005 Å
• α: 90°
• β: 117.953 ± 0.005°
• γ: 90°
• Cell volume: 3451.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1498
• Weighted residual factors for all reflections included in the refinement: 0.1641
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No