Information card for entry 4077365

Structure parameters

• Formula: C52.5 H57 Cl4 Cu Fe N4 O7 P2
• Calculated formula: C52.5 H55.8 Cl4 Cu Fe N4 O7 P2
• Title of publication: First Heterobimetallic Seven-Membered Macrocycle Complex with a Fe(0) →Cu(I) Donor−Acceptor Bond
• Authors of publication: Cui, Da-Jun; Li, Qing-Shan; Xu, Feng-Bo; Leng, Xue-Bing; Zhang, Zheng-Zhi
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 19
• Pages of publication: 4126
• a: 11.8653 ± 0.0006 Å
• b: 12.0354 ± 0.0006 Å
• c: 20.7314 ± 0.0011 Å
• α: 84.246 ± 0.001°
• β: 80.927 ± 0.001°
• γ: 79.405 ± 0.001°
• Cell volume: 2865.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0844
• Residual factor for significantly intense reflections: 0.0565
• Weighted residual factors for significantly intense reflections: 0.1654
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No