Information card for entry 7212591

Structure parameters

• Formula: C32 H24 Cl2 Fe N12 O8
• Calculated formula: C32 H24 Cl2 Fe N12 O8
• Title of publication: Supramolecular lattice-solvent control of iron(ii) spin transition parameters
• Authors of publication: Šalitroš, Ivan; Pavlik, Ján; Boča, Roman; Fuhr, Olaf; Rajadurai, Chandrasekar; Ruben, Mario
• Journal of publication: CrystEngComm
• Year of publication: 2010
• Journal volume: 12
• Journal issue: 8
• Pages of publication: 2361
• a: 41.327 ± 0.008 Å
• b: 9.79 ± 0.002 Å
• c: 16.801 ± 0.003 Å
• α: 90°
• β: 103.67 ± 0.03°
• γ: 90°
• Cell volume: 6605 ± 2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 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: 0.1265
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1375
• Weighted residual factors for all reflections included in the refinement: 0.1617
• Goodness-of-fit parameter for all reflections included in the refinement: 0.93
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No