Information card for entry 7003652

Structure parameters

• Formula: C39 H57 Cu F6 Fe3 O12 P4 Se3
• Calculated formula: C39 H57 Cu F5.99 Fe3 O12 P4 Se3
• Title of publication: The coordination chemistry of selenophosphite ligands. Synthesis and characterization of heterometallic tetranuclear clusters [M{CpFe(CO)2P(Se)(OR)2}3](PF6) (M = Cu, Ag; R = nPr, iPr) and [Cu(μ-X) {CpFe(CO)2P(Se)(OiPr)2}]2 (X = Cl, Br)
• Authors of publication: Santra, Bidyut Kumar; Chen, Jia-Li; Sarkar, Bijay; Liu, C. W.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 17
• Pages of publication: 2270 - 2276
• a: 13.0809 ± 0.0013 Å
• b: 13.0809 ± 0.0013 Å
• c: 18.877 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2797.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 190
• Hermann-Mauguin space group symbol: P -6 2 c
• Hall space group symbol: P -6c -2c
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No