Information card for entry 7000396

Structure parameters

• Formula: C28 H26 N2 Ni O2 P2
• Calculated formula: C28 H26 N2 Ni O2 P2
• SMILES: CC1=N[P](c2ccccc2)(c2ccccc2)[Ni]2(O1)OC(=N[P]2(c1ccccc1)c1ccccc1)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: 15.511 ± 0.0008 Å
• b: 8.989 ± 0.0012 Å
• c: 19.733 ± 0.003 Å
• α: 90 ± 0.007°
• β: 112.01 ± 0.009°
• γ: 90 ± 0.005°
• Cell volume: 2550.8 ± 0.6 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: 0.0576
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1039
• Weighted residual factors for all reflections included in the refinement: 0.111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No