Information card for entry 7003653

Structure parameters

• Formula: C13 H19 Cl Cu Fe O4 P Se
• Calculated formula: C13 H19 Cl Cu Fe O4 P Se
• 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: 7.7256 ± 0.0006 Å
• b: 8.6966 ± 0.0006 Å
• c: 15.8177 ± 0.0011 Å
• α: 92.768 ± 0.002°
• β: 97.833 ± 0.002°
• γ: 115.965 ± 0.002°
• Cell volume: 939.57 ± 0.12 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 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: 0.1205
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1591
• Goodness-of-fit parameter for all reflections included in the refinement: 0.958
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No