Information card for entry 7001770

Structure parameters

• Formula: C51 H68 Cl4 N4 Ni2 O3 P2
• Calculated formula: C51 H68 Cl4 N4 Ni2 O3 P2
• Title of publication: Anion effect in the diastereoselective formation of bischelated Ni(II) complexes with a novel, chiral phosphine derived from 1,8-diazabicyclo[5.4.0]undec-7-ene (DBU)
• Authors of publication: O'Reilly, Matthew; Pattacini, Roberto; Braunstein, Pierre
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 31
• Pages of publication: 6092
• a: 10.6254 ± 0.0003 Å
• b: 13.0726 ± 0.0005 Å
• c: 19.4149 ± 0.0007 Å
• α: 82.882 ± 0.002°
• β: 82.801 ± 0.002°
• γ: 86.872 ± 0.002°
• Cell volume: 2652.79 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1114
• Weighted residual factors for all reflections included in the refinement: 0.1332
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No