Information card for entry 7012576

Structure parameters

• Formula: C30 H38 B F4 N2 P Pd
• Calculated formula: C30 H38 B F4 N2 P Pd
• SMILES: [Pd]12([P](Cc3[n]1c(cc(c3)C(C)(C)C)C(C2)(C)C)(c1ccccc1C)c1ccccc1C)[N]#CC.[B](F)(F)(F)[F-]
• 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: 9.471 ± 0.0002 Å
• b: 12.148 ± 0.0003 Å
• c: 14.151 ± 0.0004 Å
• α: 104.09 ± 0.001°
• β: 94.389 ± 0.001°
• γ: 103.3 ± 0.001°
• Cell volume: 1521.56 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.059
• Residual factor for significantly intense reflections: 0.0498
• Weighted residual factors for all reflections: 0.1486
• Weighted residual factors for significantly intense reflections: 0.1355
• Goodness-of-fit parameter for all reflections: 1.108
• Goodness-of-fit parameter for significantly intense reflections: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No