Information card for entry 4089498

Structure parameters

• Common name: in paper 4a
• Formula: C47 H52 B F3 N2 Ni P2
• Calculated formula: C47 H52 B F3 N2 Ni P2
• 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: 8.8931 ± 0.0002 Å
• b: 27.1346 ± 0.0007 Å
• c: 18.1564 ± 0.0005 Å
• α: 90°
• β: 96.0443 ± 0.0009°
• γ: 90°
• Cell volume: 4356.98 ± 0.19 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: 0.0799
• Residual factor for significantly intense reflections: 0.06
• Weighted residual factors for significantly intense reflections: 0.1124
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No