Information card for entry 7024236

Structure parameters

• Formula: C47 H46 Cl F6 Fe2 N8 O5 P
• Calculated formula: C47 H46 Cl F6 Fe2 N8 O5 P
• Title of publication: Spin crossover in iron(III) Schiff-base 1-D chain complexes.
• Authors of publication: Ross, Tamsyn M.; Neville, Suzanne M.; Innes, David S.; Turner, David R.; Moubaraki, Boujemaa; Murray, Keith S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 149 - 159
• a: 12.0126 ± 0.0005 Å
• b: 13.9365 ± 0.0006 Å
• c: 15.7137 ± 0.0007 Å
• α: 93.666 ± 0.002°
• β: 107.727 ± 0.002°
• γ: 107.489 ± 0.002°
• Cell volume: 2354.7 ± 0.18 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1771
• Residual factor for significantly intense reflections: 0.1644
• Weighted residual factors for significantly intense reflections: 0.2959
• Weighted residual factors for all reflections included in the refinement: 0.3003
• Goodness-of-fit parameter for all reflections included in the refinement: 1.482
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No