Information card for entry 4101816

Structure parameters

• Formula: C9.6 H8 B0.8 Co0.4 Fe0.8 N7.2
• Calculated formula: C9.6 H8 B0.8 Co0.4 Fe0.8 N7.2
• Title of publication: Interconversion between a Nonporous Nanocluster and a Microporous Coordination Polymer Showing Selective Gas Adsorption
• Authors of publication: Yan-Juan Zhang; Tao Liu; Shinji Kanegawa; Osamu Sato
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 912 - 913
• a: 14.438 ± 0.003 Å
• b: 18.437 ± 0.004 Å
• c: 12.997 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3459.7 ± 1.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 72
• Hermann-Mauguin space group symbol: I b a m
• Hall space group symbol: -I 2 2c
• Residual factor for all reflections: 0.1091
• Residual factor for significantly intense reflections: 0.1089
• Weighted residual factors for significantly intense reflections: 0.2007
• Weighted residual factors for all reflections included in the refinement: 0.2007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No