Information card for entry 7043582

Structure parameters

• Formula: C62 H72 B2 Cl6 F2 N6 Ni2 O2 P4
• Calculated formula: C62 H72 B2 Cl6 F2 N6 Ni2 O2 P4
• SMILES: [Ni]12([OH][Ni]3([P](N4CCC[NH]5CCCN([P]3(c3ccccc3)c3ccccc3)[B]45F)(c3ccccc3)c3ccccc3)[OH]2)[P](N2CCC[NH]3CCCN([P]1(c1ccccc1)c1ccccc1)[B]23F)(c1ccccc1)c1ccccc1.[Cl-].[Cl-].ClCCl.ClCCl
• 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: 12.3721 ± 0.0012 Å
• b: 32.375 ± 0.003 Å
• c: 16.7696 ± 0.0017 Å
• α: 90°
• β: 91.629 ± 0.005°
• γ: 90°
• Cell volume: 6714.3 ± 1.1 ų
• Cell temperature: 190 ± 2 K
• Ambient diffraction temperature: 190.15 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0471
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0923
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No