Information card for entry 4075911

Structure parameters

• Formula: C73 H63 B Ni P2
• Calculated formula: C73 H63 B Ni P2
• SMILES: [Ni]12([C]3(=[CH]1C2c1ccccc31)CCC=C)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Indenyl-Nickel Complexes Bearing a Pendant, Hemilabile Olefin Ligand: Preparation, Characterization, and Catalytic Activities
• Authors of publication: Gareau, Daniel; Sui-Seng, Christine; Groux, Laurent F.; Brisse, François; Zargarian, Davit
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 16
• Pages of publication: 4003
• a: 10.3056 ± 0.0007 Å
• b: 16.2965 ± 0.0011 Å
• c: 33.568 ± 0.002 Å
• α: 90°
• β: 96.119 ± 0.005°
• γ: 90°
• Cell volume: 5605.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1059
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.1966
• Weighted residual factors for all reflections included in the refinement: 0.2172
• Goodness-of-fit parameter for all reflections included in the refinement: 0.998
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No