Information card for entry 4320242

Structure parameters

• Formula: C27 H42 N2 Ni O P4
• Calculated formula: C27 H42 N2 Ni O P4
• SMILES: [Ni]12([P](CP(CC[P]2(CC)CC)c2ccccc2)(CC[P]1(CC)CC)c1ccccc1)(C#N)C#N.O
• Title of publication: Separating the Racemic and Meso Diastereomers of a Binucleating Tetraphosphine Ligand System through the Use of Nickel Chloride
• Authors of publication: David A. Aubry; Scott A. Laneman; Frank R. Fronczek; George G. Stanley
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 5036 - 5041
• a: 8.431 ± 0.0002 Å
• b: 18.5593 ± 0.0003 Å
• c: 19.7142 ± 0.0004 Å
• α: 95.2808 ± 0.0008°
• β: 94.3847 ± 0.0007°
• γ: 99.5244 ± 0.001°
• Cell volume: 3016.08 ± 0.11 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.108
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.081
• Weighted residual factors for all reflections included in the refinement: 0.099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No