Information card for entry 4075032

Structure parameters

• Formula: C42 H48 N2 Ni P2 Si2
• Calculated formula: C42 H48 N2 Ni P2 Si2
• SMILES: [Ni]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)([N](=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)[Si](C)(C)C)c1ccccc1
• Title of publication: Ethylene Polymerization Using Discrete Nickel(II) Iminophosphonamide Complexes
• Authors of publication: Stapleton, Russell L.; Chai, Jianfang; Taylor, Nicholas J.; Collins, Scott
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 10
• Pages of publication: 2514
• a: 12.3383 ± 0.0008 Å
• b: 13.5161 ± 0.0009 Å
• c: 23.3083 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3887 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0353
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.301
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No