Information card for entry 4316880

Structure parameters

• Formula: C24 H36 Cl2 Fe P2 Pt
• Calculated formula: C24 H36 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](CC)C[C@@H]%12CC)[C@@H](CC)C[C@@H]%11CC)[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: 11.2265 ± 0.0004 Å
• b: 13.7375 ± 0.0005 Å
• c: 16.7269 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2579.69 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0244
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections included in the refinement: 0.0412
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No