Information card for entry 7001771

Structure parameters

• Formula: C50 H64 Cl14 N4 Ni O P2
• Calculated formula: C50 H64 Cl14 N4 Ni O 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: 14.4443 ± 0.0005 Å
• b: 15.8472 ± 0.0006 Å
• c: 15.9016 ± 0.0004 Å
• α: 116.871 ± 0.002°
• β: 95.778 ± 0.002°
• γ: 97.478 ± 0.002°
• Cell volume: 3166.49 ± 0.19 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: 0.1131
• Residual factor for significantly intense reflections: 0.0575
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No