Information card for entry 7201192

Structure parameters

• Common name: {[Fe(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}
• Chemical name: {[Fe(CAN)2(4,4'-bipy)(H2O)2].4,4'-bipy}
• Formula: C22 H20 Fe N10 O6
• Calculated formula: C22 H20 Fe N10 O6
• Title of publication: Coordination polymers of nitrocyanamide, O2NNCN−: synthesis, structure and magnetism
• Authors of publication: Kutasi, Anna M.; Turner, David R.; Jensen, Paul; Moubaraki, Boujemaa; Batten, Stuart R.; Murray, Keith S.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 10
• Pages of publication: 2089
• a: 7.2742 ± 0.0001 Å
• b: 11.485 ± 0.0002 Å
• c: 15.2616 ± 0.0003 Å
• α: 90°
• β: 102.364 ± 0.001°
• γ: 90°
• Cell volume: 1245.45 ± 0.04 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No