Information card for entry 7239510

Structure parameters

• Formula: C20 H15 Fe N2 O6
• Calculated formula: C19 H11 Fe N2 O5
• Title of publication: Fe2±based layered porous coordination polymers and soft encapsulation of guests via redox activity
• Authors of publication: Horike, Satoshi; Sugimoto, Masayuki; Kongpatpanich, Kanokwan; Hijikata, Yuh; Inukai, Munehiro; Umeyama, Daiki; Kitao, Shinji; Seto, Makoto; Kitagawa, Susumu
• Journal of publication: Journal of Materials Chemistry A
• Year of publication: 2013
• Journal volume: 1
• Journal issue: 11
• Pages of publication: 3675
• a: 10.034 ± 0.003 Å
• b: 10.25 ± 0.003 Å
• c: 10.487 ± 0.003 Å
• α: 67.006 ± 0.017°
• β: 75.61 ± 0.02°
• γ: 77.56 ± 0.02°
• Cell volume: 953.2 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0942
• Residual factor for significantly intense reflections: 0.0812
• Weighted residual factors for significantly intense reflections: 0.2482
• Weighted residual factors for all reflections included in the refinement: 0.2596
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No