Information card for entry 4344092

Structure parameters

• Formula: C60 H62 Cl6 N4 Ni2 P4
• Calculated formula: C60 H62 Cl6 N4 Ni2 P4
• SMILES: [Ni]1234[Ni](Cl)(Cl)([P]51N(c1c(C)cc(C)cc1C)CCN5c1ccccc1[P]2(c1ccccc1)c1ccccc1)[P]13N(c2c(C)cc(C)cc2C)CCN1c1ccccc1[P]4(c1ccccc1)c1ccccc1.ClCCl.ClCCl
• Title of publication: Use of a Bidentate Ligand Featuring an N-Heterocyclic Phosphenium Cation (NHP(+)) to Systematically Explore the Bonding of NHP(+) Ligands with Nickel.
• Authors of publication: Bezpalko, Mark W.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8717 - 8726
• a: 11.9004 ± 0.0007 Å
• b: 13.5853 ± 0.0007 Å
• c: 35.912 ± 0.002 Å
• α: 90°
• β: 96.805 ± 0.003°
• γ: 90°
• Cell volume: 5765 ± 0.6 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0728
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9656
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No