Information card for entry 4334616

Structure parameters

• Formula: C92 H87 Cl2 Co2 Fe4 N17
• Calculated formula: C92 H87 Cl2 Co2 Fe4 N17
• Title of publication: Metal Atom Lability in Polynuclear Complexes
• Authors of publication: Emily V. Eames; Raúl Hernández Sánchez; Theodore A. Betley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 5006 - 5012
• a: 12.74 ± 0.003 Å
• b: 18.127 ± 0.003 Å
• c: 19.225 ± 0.004 Å
• α: 72.228 ± 0.004°
• β: 86.533 ± 0.004°
• γ: 76.061 ± 0.003°
• Cell volume: 4103 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0928
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.1009
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No