Information card for entry 7043578

Structure parameters

• Formula: C18 H40 B Cl2 N3 Ni P2
• Calculated formula: C18 H40 B Cl2 N3 Ni P2
• SMILES: B12N3CCCN1CCCN2[P]([Ni]([P]3(C(C)C)C(C)C)(Cl)Cl)(C(C)C)C(C)C
• 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: 12.6274 ± 0.0013 Å
• b: 10.9057 ± 0.0011 Å
• c: 17.6347 ± 0.0018 Å
• α: 90°
• β: 101.618 ± 0.005°
• γ: 90°
• Cell volume: 2378.7 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0309
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No