Information card for entry 4089497

Structure parameters

• Common name: in paper 3a
• Formula: C25 H32 B F3 N Ni P
• Calculated formula: C25 H32 B F3 N Ni P
• SMILES: [Ni]1([P](c2c(cccc2)[B]([F]1)(F)F)(C(C)C)C(C)C)([n]1c(cccc1C)C)c1ccccc1
• Title of publication: Dimerization of Ethylene by Nickel Phosphino‒Borate Complexes
• Authors of publication: Gutsulyak, Dmitry V.; Gott, Andrew L.; Piers, Warren E.; Parvez, Masood
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 11
• Pages of publication: 3363
• a: 9.2957 ± 0.0002 Å
• b: 15.6947 ± 0.0005 Å
• c: 16.865 ± 0.0005 Å
• α: 90°
• β: 90.285 ± 0.002°
• γ: 90°
• Cell volume: 2460.46 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No