Information card for entry 7005635

Structure parameters

• Formula: C40 H30 Cl2 Fe N14 O8
• Calculated formula: C40 H30 Cl2 Fe N14 O8
• Title of publication: Lattice-solvent controlled spin transitions in iron(II) complexes.
• Authors of publication: Rajadurai, Chandrasekar; Qu, Zhirong; Fuhr, Olaf; Gopalan, Balaji; Kruk, Robert; Ghafari, Mohammed; Ruben, Mario
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 32
• Pages of publication: 3531 - 3537
• a: 10.808 ± 0.002 Å
• b: 13.925 ± 0.003 Å
• c: 28.685 ± 0.006 Å
• α: 90°
• β: 97.77 ± 0.03°
• γ: 90°
• Cell volume: 4277.5 ± 1.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0508
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0892
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No