Information card for entry 7043583

Structure parameters

• Formula: C31 H36 B Cl2 N3 Ni O P2
• Calculated formula: C31 H36 B Cl2 N3 Ni O P2
• SMILES: [Ni]1(Cl)(Cl)[P](N2CCC[NH]3CCCN([P]1(c1ccccc1)c1ccccc1)[B]23OC)(c1ccccc1)c1ccccc1
• Title of publication: Triaminoborane-bridged diphosphine complexes with Ni and Pd: coordination chemistry, structures, and ligand-centered reactivity
• Authors of publication: Lee, Kyounghoon; Donahue, Courtney M.; Daly, Scott R.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.9172 ± 0.0011 Å
• b: 21.128 ± 0.002 Å
• c: 14.1842 ± 0.0014 Å
• α: 90°
• β: 110.222 ± 0.005°
• γ: 90°
• Cell volume: 3070 ± 0.5 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 K
• Number of distinct elements: 8
• 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: 0.0739
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1134
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No