Information card for entry 7010579

Structure parameters

• Formula: C60 H61 Cl2 Fe N10 Ni O20 P2
• Calculated formula: C60 H56 Cl2 Fe N10 Ni O20 P2
• Title of publication: The first iron(III)‒nickel(II) heterodinuclear complex containing both terminal and bridged phosphato ligands relevant to structural core models for dimetalloenzymes
• Authors of publication: Yin, Li-hua; Cheng, Peng; Yan, Shi-Ping; Fu, Xue-Qi; Li, Jing; Liao, Dai-Zheng; Jiang, Zong-Hui
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 9
• Pages of publication: 1398
• a: 17.3028 ± 0.0015 Å
• b: 20.5989 ± 0.0019 Å
• c: 20.1296 ± 0.0019 Å
• α: 90°
• β: 111.796 ± 0.002°
• γ: 90°
• Cell volume: 6661.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1739
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.1725
• Weighted residual factors for all reflections included in the refinement: 0.2145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.97
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No