Information card for entry 4344091

Structure parameters

• Formula: C29 H29 Cl N2 P2
• Calculated formula: C29 H29 Cl N2 P2
• SMILES: ClP1N(c2c(C)cc(C)cc2C)CCN1c1ccccc1P(c1ccccc1)c1ccccc1
• 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: 8.4661 ± 0.0007 Å
• b: 9.6118 ± 0.0007 Å
• c: 17.5158 ± 0.0014 Å
• α: 74.482 ± 0.003°
• β: 82.535 ± 0.004°
• γ: 76.797 ± 0.003°
• Cell volume: 1333.48 ± 0.18 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for all reflections: 0.0904
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0904
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No