Information card for entry 4113378

Structure parameters

• Formula: C32 H34 Cl4 Fe2 O10
• Calculated formula: C32 H34 Cl4 Fe2 O10
• SMILES: C12C(=C(C(=O)C(=O)C=1Cl)Cl)O[Fe]1(O2)(OC2C(=C(C(=O)C(=O)C=2Cl)Cl)O1)([OH2])[OH2].[Fe]12345678([c]9([c]7([c]5([c]3([c]19C)C)C)C)C)[c]1([c]8([c]6([c]4([c]21C)C)C)C)C
• Title of publication: Design of Novel Inorganic-Organic Hybrid Materials Based on Iron-Chloranilate Mononuclear Complexes: Characteristics of Hydrogen-Bond-Supported Layers toward the Intercalation of Guests
• Authors of publication: Kunimitsu Nagayoshi; Md. Khayrul Kabir; Hiroshi Tobita; Kenji Honda; Mitsuhiro Kawahara; Motomi Katada; Keiichi Adachi; Hiroyuki Nishikawa; Isao Ikemoto; Hitoshi Kumagai; Yuko Hosokoshi; Katsuya Inoue; Susumu Kitagawa; Satoshi Kawata
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 221 - 232
• a: 9.32 ± 0.001 Å
• b: 13.228 ± 0.002 Å
• c: 7.333 ± 0.002 Å
• α: 97.08 ± 0.02°
• β: 112.9 ± 0.01°
• γ: 86.5 ± 0.01°
• Cell volume: 826.4 ± 0.3 ų
• Cell temperature: 296.2 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 significantly intense reflections: 0.0411
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No