Information card for entry 4316871

Structure parameters

• Formula: C22 H32 Cl2 Fe P2 Pt
• Calculated formula: C22 H32 Cl2 Fe P2 Pt
• SMILES: [Fe]123456789[c]%10([P]%11([Pt](Cl)(Cl)[P]%12([c]%135[cH]6[cH]7[cH]8[cH]9%13)[C@@H](C)CC[C@@H]%12C)[C@@H](C)CC[C@@H]%11C)[cH]1[cH]2[cH]3[cH]4%10
• Title of publication: Electrochemistry of 1,1'-Bis(2,4-dialkylphosphetanyl)ferrocene and 1,1'-Bis(2,5-dialkylphospholanyl)ferrocene Ligands: Free Phosphines, Metal Complexes, and Chalcogenides
• Authors of publication: Chelsea L. Mandell; Shannon S. Kleinbach; William G. Dougherty; W. Scott Kassel; Chip Nataro
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 9718 - 9727
• a: 10.4455 ± 0.0014 Å
• b: 13.0522 ± 0.0015 Å
• c: 17.448 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2378.8 ± 0.5 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0296
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.0509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No