Information card for entry 4317403

Structure parameters

• Formula: C82 H120 Fe O8 P2
• Calculated formula: C66 H88 Fe O4 P2
• SMILES: c12c(cc(cc2c2cc(cc(c2OP(O1)[c]12[cH]3[Fe]4567892([cH]1[cH]5[cH]37)[c]1([cH]9[cH]8[cH]6[cH]41)P1Oc2c(c3c(c(cc(c3)C(C)(C)C)C(C)(C)C)O1)cc(cc2C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Ferrocene Bis(phosphonite)s: Synthesis and Characterization of a Novel Class of Sterically Congested Ligands1
• Authors of publication: Sai P. Shum; Stephen D. Pastor; Grety Rihs
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 127 - 131
• a: 33.419 ± 0.006 Å
• b: 10.678 ± 0.001 Å
• c: 22.684 ± 0.006 Å
• α: 90 ± 0.01°
• β: 102.08 ± 0.02°
• γ: 90 ± 0.01°
• Cell volume: 7915 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1468
• Residual factor for significantly intense reflections: 0.081
• Weighted residual factors for all reflections: 0.2525
• Weighted residual factors for significantly intense reflections: 0.2061
• Goodness-of-fit parameter for all reflections: 2.049
• Goodness-of-fit parameter for significantly intense reflections: 2.373
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No