Information card for entry 7239507

Structure parameters

• Formula: C18 H12 Fe I2.5 N2 O4
• Calculated formula: C18 H12 Fe I2.5 N2 O4
• 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: 10.23 ± 0.014 Å
• b: 11.58 ± 0.015 Å
• c: 17.68 ± 0.02 Å
• α: 90°
• β: 98.09 ± 0.02°
• γ: 90°
• Cell volume: 2074 ± 5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.2631
• Residual factor for significantly intense reflections: 0.1548
• Weighted residual factors for significantly intense reflections: 0.3527
• Weighted residual factors for all reflections included in the refinement: 0.4283
• Goodness-of-fit parameter for all reflections included in the refinement: 1.116
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No