Information card for entry 4081325

Structure parameters

• Formula: C28 H31 Cl2 Fe2 O7 P
• Calculated formula: C28 H31 Cl2 Fe2 O7 P
• Title of publication: P‒C and C‒C Coupling Processes in the Reactions of the Phosphinidene-Bridged Complex [Fe2(η5-C5H5)2(μ-PCy)(μ-CO)(CO)2] with Alkynes
• Authors of publication: Alvarez, M. Angeles; García, M. Esther; González, Rocío; Ruiz, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 16
• Pages of publication: 4601
• a: 9.5419 ± 0.0017 Å
• b: 24.032 ± 0.004 Å
• c: 12.901 ± 0.002 Å
• α: 90°
• β: 94.136 ± 0.003°
• γ: 90°
• Cell volume: 2950.6 ± 0.9 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0706
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No