Information card for entry 7012578

Structure parameters

• Formula: C60 H78 Cl2 N2 O2 P2 Pd2
• Calculated formula: C60 H78 Cl2 N2 O2 P2 Pd2
• SMILES: C(=O)(C)[Pd]1([P](Cc2cc(cc(C(C)(C)C)n2)C(C)(C)C)(c2ccccc2C)c2ccccc2C)[Cl][Pd](C(=O)C)([P](Cc2cc(cc(C(C)(C)C)n2)C(C)(C)C)(c2ccccc2C)c2ccccc2C)[Cl]1
• Title of publication: New bulky phosphinopyridine ligands. Pσim Nσim C Tridentates in palladium complexes
• Authors of publication: Chen, Hsin-Pei; Liu, Yi-Hung; Peng, Shie-Ming; Liu, Shiuh-Tzung
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 7
• Pages of publication: 1419
• a: 12.394 ± 0.0002 Å
• b: 16.722 ± 0.0003 Å
• c: 15.054 ± 0.0002 Å
• α: 90°
• β: 106.559 ± 0.001°
• γ: 90°
• Cell volume: 2990.58 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.1381
• Weighted residual factors for significantly intense reflections: 0.1097
• Goodness-of-fit parameter for all reflections: 1.121
• Goodness-of-fit parameter for significantly intense reflections: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No