Information card for entry 7013260

Structure parameters

• Formula: C49 H40 Cl2 N2 P2 Pd
• Calculated formula: C49 H40 Cl2 N2 P2 Pd
• SMILES: [Pd]12([N](=P(c3c2cccc3)(c2ccccc2)c2ccccc2)c2ccccc2)[N](=P(c2c1cccc2)(c1ccccc1)c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Metallated triphenylphosphinimine complexes
• Authors of publication: Wei, Pingrong; Chan, Katie T. K.; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 19
• Pages of publication: 3804
• a: 14.543 ± 0.009 Å
• b: 10.026 ± 0.006 Å
• c: 29.194 ± 0.017 Å
• α: 90°
• β: 95.731 ± 0.011°
• γ: 90°
• Cell volume: 4235 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0597
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 0.957
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No