Information card for entry 4076068

Structure parameters

• Formula: C37 H47 Cl2 Fe N P2 Pd
• Calculated formula: C37 H47 Cl2 Fe N P2 Pd
• SMILES: [Pd]1(Cl)(Cl)[P]([c]23[Fe]456789%10([cH]%11[cH]4[cH]5[cH]6[cH]7%11)[cH]([cH]28)[cH]%10[c]39[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: 8.3478 ± 0.0008 Å
• b: 19.0037 ± 0.0019 Å
• c: 22.389 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3551.8 ± 0.6 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: 0.0275
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.0631
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No