Information card for entry 7101837

Structure parameters

• Formula: C33 H31 Br2 N Ni P2
• Calculated formula: C33 H31 Br2 N Ni P2
• SMILES: Br[Ni]1(Br)[P](c2ccccc2)(c2ccccc2)c2ccccc2P(=[N]1C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Highly efficient P-N nickel(II) complexes for the dimerisation of ethylene.
• Authors of publication: Buchard, Antoine; Auffrant, Audrey; Klemps, Christian; Vu-Do, Laurence; Boubekeur, Leïla; Goff, Xavier F Le; Floch, Pascal Le
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2007
• Journal issue: 15
• Pages of publication: 1502 - 1504
• a: 9.087 ± 0.001 Å
• b: 16.597 ± 0.001 Å
• c: 21.913 ± 0.001 Å
• α: 90°
• β: 110.18 ± 0.001°
• γ: 90°
• Cell volume: 3102 ± 0.4 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.059
• Residual factor for significantly intense reflections: 0.0315
• Weighted residual factors for significantly intense reflections: 0.0589
• Weighted residual factors for all reflections included in the refinement: 0.0652
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No