Information card for entry 7012263

Structure parameters

• Formula: C47 H37 Fe2 N7 O6
• Calculated formula: C47 H35 Fe2 N7 O6
• Title of publication: Crystal structures of metal‒organic frameworks sustained by π‒π interactions between triple-helices
• Authors of publication: Mo Hong; Fang Chen-jie; Duan Chun-ying; Li Yu-ting; Meng Qing-jin
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1229 - 1234
• a: 19.557 ± 0.004 Å
• b: 16.232 ± 0.003 Å
• c: 14.405 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4572.9 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.064
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1714
• Weighted residual factors for all reflections included in the refinement: 0.1804
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No