Information card for entry 7024239

Structure parameters

• Common name: 5a
• Chemical name: [(Fe(acen))2(mu-tvp)(tvp)(tvpH)](tvpH)(BPh4)4.1.5(CH3OH)
• Formula: C169.5 H164 B4 Fe2 N12 O5.5
• Calculated formula: C169.5 H164 B4 Fe2 N12 O5.5
• 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: 16.295 ± 0.0006 Å
• b: 19.6279 ± 0.0007 Å
• c: 22.6273 ± 0.0006 Å
• α: 79.602 ± 0.001°
• β: 80.354 ± 0.001°
• γ: 79.952 ± 0.002°
• Cell volume: 6939.5 ± 0.4 ų
• Cell temperature: 123 ± 1 K
• Ambient diffraction temperature: 123 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1106
• Residual factor for significantly intense reflections: 0.0899
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.1937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No