Information card for entry 7043580

Structure parameters

• Formula: C18 H40 B N3 P2
• Calculated formula: C18 H40 B N3 P2
• SMILES: P(N1CCCN2CCCN(P(C(C)C)C(C)C)B12)(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: 8.6254 ± 0.0009 Å
• b: 15.2128 ± 0.0015 Å
• c: 17.622 ± 0.0018 Å
• α: 90°
• β: 101.4 ± 0.005°
• γ: 90°
• Cell volume: 2266.7 ± 0.4 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 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: 0.0574
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.089
• Weighted residual factors for all reflections included in the refinement: 0.0998
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No