Information card for entry 7712144

Structure parameters

• Formula: C116 H143 B2 Cl2 Co2 Fe2 N35 O8
• Calculated formula: C116 H143 B2 Cl2 Co2 Fe2 N35 O8
• Title of publication: Thermo- and photo-induced electron transfer in a series of [Fe₂Co₂] capsules.
• Authors of publication: Meng, Lingyi; Deng, Yi-Fei; Holmes, Stephen M.; Zhang, Yuan-Zhu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 6
• Pages of publication: 1616 - 1622
• a: 14.0286 ± 0.0007 Å
• b: 15.5718 ± 0.0008 Å
• c: 16.0029 ± 0.0008 Å
• α: 73.466 ± 0.002°
• β: 74.402 ± 0.002°
• γ: 70.073 ± 0.002°
• Cell volume: 3092.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.72 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1093
• Residual factor for significantly intense reflections: 0.082
• Weighted residual factors for significantly intense reflections: 0.2146
• Weighted residual factors for all reflections included in the refinement: 0.2349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No