Information card for entry 7013280

Structure parameters

• Formula: C59 H70 Br Cl4 N2 Ni P2
• Calculated formula: C59 H70 Br Cl4 N2 Ni P2
• SMILES: [Ni]2(Br)(N(c1c(cccc1C(C)C)C(C)C)P(c1ccccc1)(c1ccccc1)=[CH]2C(=[NH+]c1c(cccc1C(C)C)C(C)C)C)[P](c1ccccc1)(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• Title of publication: Nickel and palladium phosphinimine-imine ligand complexes
• Authors of publication: Masuda, Jason D.; Wei, Pingrong; Stephan, Douglas W.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 3500
• a: 23.05 ± 0.03 Å
• b: 10.399 ± 0.015 Å
• c: 24.6 ± 0.03 Å
• α: 90°
• β: 104.11 ± 0.03°
• γ: 90°
• Cell volume: 5719 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1321
• Residual factor for significantly intense reflections: 0.0784
• Weighted residual factors for significantly intense reflections: 0.1903
• Weighted residual factors for all reflections included in the refinement: 0.2251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No