Information card for entry 7011850

Structure parameters

• Formula: C29 H24 Fe2 N16 O3
• Calculated formula: C29 H19 Fe2 N16 O3
• Title of publication: Syntheses, crystal structures, and magnetic properties of first row transition metal coordination polymers containing dicyanamide and 4,4???-bipyridineElectronic supplementary information (ESI) available: atom numbering diagrams for compounds 1 (123 K and 294 K) and 7???11. See http://www.rsc.org/suppdata/dt/b2/b205007b/
• Authors of publication: Jensen, Paul; Batten, Stuart R.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 19
• Pages of publication: 3712
• a: 22.3171 ± 0.0004 Å
• b: 22.3171 ± 0.0004 Å
• c: 13.2602 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6604.28 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.1239
• Residual factor for significantly intense reflections: 0.073
• Weighted residual factors for significantly intense reflections: 0.1237
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No