Information card for entry 7014704

Structure parameters

• Formula: C75 H78 B2 Fe N10
• Calculated formula: C75 H78 B2 Fe N10
• Title of publication: Investigation of anion-dependence in the spin-state switching properties of [(H2bip)2Fe(6-Mebpy)]X2.
• Authors of publication: Ni, Zhaoping; Fiedler, Stephanie R.; Shores, Matthew P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 4
• Pages of publication: 944 - 950
• a: 23.3141 ± 0.0006 Å
• b: 14.5564 ± 0.0003 Å
• c: 36.7535 ± 0.0009 Å
• α: 90°
• β: 98.262 ± 0.001°
• γ: 90°
• Cell volume: 12343.6 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No