Information card for entry 4075034

Structure parameters

• Formula: C21 H33 N2 Ni P Si2
• Calculated formula: C21 H33 N2 Ni P Si2
• SMILES: [Ni]123([N](=P(N1[Si](C)(C)C)(c1ccccc1)c1ccccc1)[Si](C)(C)C)[CH2]=[CH]2C3
• 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: 14.6477 ± 0.0007 Å
• b: 9.5088 ± 0.0004 Å
• c: 18.5319 ± 0.0009 Å
• α: 90°
• β: 110.413 ± 0.001°
• γ: 90°
• Cell volume: 2419.07 ± 0.19 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0488
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No