Information card for entry 4075908

Structure parameters

• Formula: C31 H28 Cl Ni P
• Calculated formula: C31 H28 Cl Ni P
• SMILES: [Ni]12(Cl)([P](c3ccccc3)(c3ccccc3)c3ccccc3)[C]3(=[CH]1C2c1ccccc31)CCC=C
• 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: 9.1559 ± 0.0001 Å
• b: 10.4614 ± 0.0002 Å
• c: 15.5498 ± 0.0002 Å
• α: 90.512 ± 0.001°
• β: 106.265 ± 0.001°
• γ: 113.833 ± 0.001°
• Cell volume: 1295.17 ± 0.04 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 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: 0.0428
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.1072
• Weighted residual factors for all reflections included in the refinement: 0.121
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No