Information card for entry 4317115

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: 21.39 ± 0.0003 Å
• b: 14.533 ± 0.0002 Å
• c: 20.3121 ± 0.0003 Å
• α: 90°
• β: 105.614 ± 0.001°
• γ: 90°
• Cell volume: 6081.22 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.079
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No