Information card for entry 4515989

Structure parameters

• Formula: C16 H37 Cl2 N Ni P2
• Calculated formula: C16 H37 Cl2 N Ni P2
• SMILES: [Ni]12(Cl)[P](CC[NH]2CC[P]1(C(C)C)C(C)C)(C(C)C)C(C)C.[Cl-]
• Title of publication: Roles of Hydrogen Bonding in Proton Transfer to κ^P,κ^N,κ^P-N(CH₂CH₂P <i> ⁱ </i> Pr₂)₂-Ligated Nickel Pincer Complexes.
• Authors of publication: Wellala, Nadeesha P. N.; Luebking, John D.; Krause, Jeanette A.; Guan, Hairong
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 4986 - 5001
• a: 8.7102 ± 0.0003 Å
• b: 10.8084 ± 0.0004 Å
• c: 22.818 ± 0.0007 Å
• α: 90°
• β: 90.016 ± 0.001°
• γ: 90°
• Cell volume: 2148.16 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0235
• Residual factor for significantly intense reflections: 0.0211
• Weighted residual factors for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections included in the refinement: 0.0485
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No