Information card for entry 4317402

Structure parameters

• Formula: C90 H115 Cl2 Fe O6 P2 Rh
• Calculated formula: C90 H115 Cl2 Fe O6 P2 Rh
• SMILES: [Rh]12(OC(=CC(=[O]2)C)C)[P]2(Oc3c(cc(cc3c3c(O2)c(cc(c3)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]23[Fe]456789%10([cH]2[cH]4[cH]5[cH]36)[c]2([cH]%10[cH]9[cH]8[cH]72)[P]21Oc1c(cc(cc1c1c(O2)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C.c1ccccc1.c1ccccc1.c1ccccc1.ClCCl
• 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: 19.462 ± 0.002 Å
• b: 36.482 ± 0.004 Å
• c: 12.124 ± 0.001 Å
• α: 90 ± 0.01°
• β: 93.07 ± 0.01°
• γ: 90 ± 0.01°
• Cell volume: 8595.8 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0965
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections: 0.2328
• Weighted residual factors for significantly intense reflections: 0.1515
• Goodness-of-fit parameter for all reflections: 1.079
• Goodness-of-fit parameter for significantly intense reflections: 1.164
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No