Information card for entry 4317116

Structure parameters

• Formula: C139 H149 B4 Fe2 N19
• Calculated formula: C139 H149 B4 Fe2 N19
• Title of publication: Supramolecular Effects on Anion-Dependent Spin-State Switching Properties in Heteroleptic Iron(II) Complexes
• Authors of publication: Zhaoping Ni; Matthew P. Shores
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 10727 - 10735
• a: 21.5986 ± 0.0004 Å
• b: 14.6795 ± 0.0003 Å
• c: 20.5912 ± 0.0003 Å
• α: 90°
• β: 105.665 ± 0.001°
• γ: 90°
• Cell volume: 6286.1 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.097
• Residual factor for significantly intense reflections: 0.0679
• Weighted residual factors for significantly intense reflections: 0.2047
• Weighted residual factors for all reflections included in the refinement: 0.2242
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No