Information card for entry 7023202

Structure parameters

• Formula: C50 H52 Au2 Cl2 Fe O8 P2
• Calculated formula: C50 H52 Au2 Cl2 Fe O8 P2
• Title of publication: Synthesis, transition metal chemistry and catalytic reactions of ferrocenylbis(phosphonite), [Fe{C5H4P(OC6H3(OMe-o)(C3H5-p))2}2].
• Authors of publication: Rao, Sowmya; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 32
• Pages of publication: 11695 - 11708
• a: 9.4474 ± 0.001 Å
• b: 11.7473 ± 0.0013 Å
• c: 14.7451 ± 0.0016 Å
• α: 112.484 ± 0.001°
• β: 103.393 ± 0.001°
• γ: 104.426 ± 0.002°
• Cell volume: 1363.2 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0791
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1365
• Weighted residual factors for all reflections included in the refinement: 0.1441
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No