Information card for entry 7003654

Structure parameters

• Formula: C13 H19 Br Cu Fe O4 P Se
• Calculated formula: C13 H19 Br 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: 9.4601 ± 0.0009 Å
• b: 17.7641 ± 0.0015 Å
• c: 11.7681 ± 0.001 Å
• α: 90°
• β: 94.726 ± 0.004°
• γ: 90°
• Cell volume: 1970.9 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1956
• Residual factor for significantly intense reflections: 0.0519
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No