Information card for entry 7053316

Structure parameters

• Formula: C20 H24 Fe O8 P2
• Calculated formula: C20 H24 Fe O8 P2
• SMILES: [c]12([c]3([c]4([Fe]5678923([p]1[c]48C(=O)OC)[c]1([c]6([c]7([c]5(C(=O)OC)[p]91)C)C)C(=O)OC)C)C)C(=O)OC
• Title of publication: Studies of how redox chemistry influences the synthesis of transition metal phosphametallocenes: a convenient synthesis of 2,5-diester-substituted phosphametallocenes and 2,2′,5,5′-tetraester-substituted-1,1′-diphosphaferrocenes
• Authors of publication: Carmichael, Duncan; Le Goff, Xavier F.; Muller, Eric
• Journal of publication: New Journal of Chemistry
• Year of publication: 2010
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1341
• a: 7.473 ± 0.001 Å
• b: 21.153 ± 0.001 Å
• c: 13.311 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2104.2 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C c m 21
• Hall space group symbol: C 2c -2c
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0638
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No