Information card for entry 7005050

Structure parameters

• Formula: C30 H30 Cl2 Fe N8 O9
• Calculated formula: C30 H30 Cl2 Fe N8 O9
• Title of publication: Spin crossover behavior in a family of iron(II) zigzag chain coordination polymers.
• Authors of publication: Matouzenko, Galina S.; Perrin, Monique; Le Guennic, Boris; Genre, Caroline; Molnár, Gábor; Bousseksou, Azzedine; Borshch, Serguei A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 9
• Pages of publication: 934 - 942
• a: 22.897 ± 0.002 Å
• b: 13.968 ± 0.002 Å
• c: 16.456 ± 0.002 Å
• α: 90°
• β: 133.195 ± 0.005°
• γ: 90°
• Cell volume: 3836.9 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1673
• Residual factor for significantly intense reflections: 0.1005
• Weighted residual factors for significantly intense reflections: 0.2652
• Weighted residual factors for all reflections included in the refinement: 0.3278
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No