Information card for entry 7012579

Structure parameters

• Formula: C66 H94 Cl2 N2 P2 Pd2
• Calculated formula: C66 H94 Cl2 N2 P2 Pd2
• SMILES: [Pd]1([Cl][Pd]([Cl]1)([P](C=c1[nH]c(cc(c1)C(C)(C)C)C(C)(C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C)([P](C=c1[nH]c(cc(c1)C(C)(C)C)C(C)(C)C)(c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C
• 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: 11.549 ± 0.0001 Å
• b: 16.13 ± 0.0001 Å
• c: 17.902 ± 0.0002 Å
• α: 94.554 ± 0.001°
• β: 101.601 ± 0.001°
• γ: 91.325 ± 0.001°
• Cell volume: 3253.83 ± 0.05 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0557
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections: 0.1399
• Weighted residual factors for significantly intense reflections: 0.1219
• Goodness-of-fit parameter for all reflections: 1.186
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No