Information card for entry 4075033

Structure parameters

• Formula: C29 H29 N2 Ni P
• Calculated formula: C29 H29 N2 Ni P
• SMILES: [Ni]123([N](=P(N1c1ccc(cc1)C)(c1ccccc1)c1ccccc1)c1ccc(cc1)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: 8.7003 ± 0.0003 Å
• b: 10.5517 ± 0.0004 Å
• c: 14.7301 ± 0.0006 Å
• α: 106.076 ± 0.001°
• β: 102.483 ± 0.001°
• γ: 98.836 ± 0.001°
• Cell volume: 1235.39 ± 0.08 ų
• Cell temperature: 180 ± 1 K
• Ambient diffraction temperature: 180 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0862
• Goodness-of-fit parameter for all reflections included in the refinement: 2.621
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No