Information card for entry 7239509

Structure parameters

• Formula: C15 H12 Fe N4 O6
• Calculated formula: C18 H11 Fe N3 O6
• 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: 10.187 ± 0.011 Å
• b: 10.273 ± 0.01 Å
• c: 10.759 ± 0.009 Å
• α: 66.69 ± 0.03°
• β: 77.57 ± 0.04°
• γ: 81.17 ± 0.04°
• Cell volume: 1006.9 ± 1.7 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1158
• Residual factor for significantly intense reflections: 0.0953
• Weighted residual factors for significantly intense reflections: 0.2804
• Weighted residual factors for all reflections included in the refinement: 0.3096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No