Information card for entry 4319293

Structure parameters

• Formula: C37 H48 Cl O3 P Pd
• Calculated formula: C37 H48 Cl O3 P Pd
• SMILES: [Pd]12([P]34Oc5c(C(c6c(O3)c(C(C)(C)C)cc(C)c6)c3c(O4)c(C(C)(C)C)cc(C)c3)cc(cc5C(C)(C)C)C)(Cl)C[CH]1=[CH2]2
• Title of publication: Sterically Crowded, Rigid,C3 Symmetric Phosphites: Synthesis, Structure, and Preparation of Metal Complexes
• Authors of publication: Maarten B. Dinger; Michael J. Scott
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 856 - 864
• a: 17.4765 ± 0.0011 Å
• b: 21.485 ± 0.0014 Å
• c: 18.7477 ± 0.0011 Å
• α: 90°
• β: 97.98 ± 0.001°
• γ: 90°
• Cell volume: 6971.3 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0988
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.114
• Weighted residual factors for all reflections included in the refinement: 0.1356
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No