Information card for entry 7043579

Structure parameters

• Formula: C32 H36 B Cl4 N3 P2
• Calculated formula: C32 H36 B Cl4 N3 P2
• SMILES: B12N(CCCN1CCCN2P(c1ccccc1)c1ccccc1)P(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• 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: 22.219 ± 0.002 Å
• b: 13.6886 ± 0.0014 Å
• c: 13.9571 ± 0.0014 Å
• α: 90°
• β: 127.323 ± 0.005°
• γ: 90°
• Cell volume: 3375.8 ± 0.6 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 K
• Number of distinct elements: 6
• 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: 0.044
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0803
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No