Information card for entry 1514465

Structure parameters

• Formula: C10 H24 Br2 Ni P2
• Calculated formula: C10 H24 Br2 Ni P2
• SMILES: [Ni]1(Br)(Br)[P](CC)(CC)CC[P]1(CC)CC
• Title of publication: Evidence for a preferential intramolecular oxidative addition in Ni-catalyzed cross-coupling reactions and their impact on chain-growth polymerizations
• Authors of publication: Bryan, Zachary J.; McNeil, Anne J.
• Journal of publication: Chemical Science
• Year of publication: 2013
• Journal volume: 4
• Journal issue: 4
• Pages of publication: 1620
• a: 8.707 ± 0.0002 Å
• b: 13.3165 ± 0.0002 Å
• c: 13.7802 ± 0.001 Å
• α: 90°
• β: 100.665 ± 0.007°
• γ: 90°
• Cell volume: 1570.17 ± 0.13 ų
• Cell temperature: 85 ± 2 K
• Ambient diffraction temperature: 85 ± 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: 0.0304
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0734
• Goodness-of-fit parameter for all reflections included in the refinement: 1.207
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No