Information card for entry 4083792

Structure parameters

• Formula: C26 H44 Fe P2 Se2
• Calculated formula: C26 H44 Fe P2 Se2
• SMILES: [Fe]12345678([c]9([cH]4[cH]3[cH]2[cH]19)P(=[Se])(C(C)(C)C)C(C)(C)C)[c]1([cH]5[cH]6[cH]7[cH]81)P(=[Se])(C(C)(C)C)C(C)(C)C
• Title of publication: Anodic Electrochemistry of Free and Coordinated 1,1‘-Bis(di-tert-butylphosphino)ferrocene
• Authors of publication: Blanco, Fawn N.; Hagopian, Laura E.; McNamara, William R.; Golen, James A.; Rheingold, Arnold L.; Nataro, Chip
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 18
• Pages of publication: 4292
• a: 14.9114 ± 0.0011 Å
• b: 14.087 ± 0.0011 Å
• c: 14.9432 ± 0.0011 Å
• α: 90°
• β: 117.789 ± 0.001°
• γ: 90°
• Cell volume: 2776.9 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0293
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No