Information card for entry 7000395

Structure parameters

• Formula: C16 H34 N2 Ni O2 P2
• Calculated formula: C16 H34 N2 Ni O2 P2
• SMILES: CC(C)[P]1([Ni]2(OC(=N1)C)OC(=N[P]2(C(C)C)C(C)C)C)C(C)C
• Title of publication: Synthesis and characterization of Co and Ni complexes stabilized by keto- and acetamide-derived P,O-type phosphine ligands
• Authors of publication: Agostinho, Magno; Rosa, Vitor; Avilés, Teresa; Welter, Richard; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 5
• Pages of publication: 814 - 822
• a: 12.488 ± 0.0009 Å
• b: 9.968 ± 0.0007 Å
• c: 17.922 ± 0.0012 Å
• α: 90°
• β: 108.706 ± 0.003°
• γ: 90°
• Cell volume: 2113.1 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0436
• Residual factor for significantly intense reflections: 0.0356
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No