Information card for entry 4076067

Structure parameters

• Formula: C37 H35 Cl2 Fe N P2 Pd
• Calculated formula: C37 H35 Cl2 Fe N P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P]([c]23[c]4([Fe]56789%102([cH]2[cH]5[cH]6[cH]7[cH]82)[cH]4[cH]9[cH]3%10)[C@H](N([P]1(c1ccccc1)c1ccccc1)C)C)(c1ccccc1)c1ccccc1
• Title of publication: BoPhoz Ligands: Anodic Electrochemistry and Complexes†
• Authors of publication: Ghent, Brenna L.; Sites, Lauren A.; Rheingold, Arnold L.; Nataro, Chip
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 20
• Pages of publication: 4788
• a: 12.6296 ± 0.001 Å
• b: 14.8567 ± 0.0011 Å
• c: 19.8143 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3717.8 ± 0.5 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 7
• 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: 0.0346
• Residual factor for significantly intense reflections: 0.032
• Weighted residual factors for significantly intense reflections: 0.0814
• Weighted residual factors for all reflections included in the refinement: 0.0825
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No