Information card for entry 4113646

Structure parameters

• Formula: C100 H116.25 N4 Ni2 O4
• Calculated formula: C106.998 H104 N4 Ni2 O4
• Title of publication: Reaction of Vinyl Chloride with Late Transition Metal Olefin Polymerization Catalysts
• Authors of publication: Stephen R. Foley; Robert A. Stockland; Han Shen; Richard F. Jordan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 4350 - 4361
• a: 14.477 ± 0.004 Å
• b: 14.703 ± 0.004 Å
• c: 42.596 ± 0.011 Å
• α: 90°
• β: 99.574 ± 0.005°
• γ: 90°
• Cell volume: 8940 ± 4 ų
• Cell temperature: 373 ± 2 K
• Ambient diffraction temperature: 373 ± 2 K
• Number of distinct elements: 5
• 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: 0.0877
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 1.232
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No