Information card for entry 7710684

Structure parameters

• Chemical name: tBu-PBP-Ni-BH4
• Formula: C24 H48 B2 N2 Ni P2
• Calculated formula: C24 H48 B2 N2 Ni P2
• SMILES: [Ni]123([P](C(C)(C)C)(CN5B2N(c2c5cccc2)C[P]1(C(C)(C)C)C(C)(C)C)C(C)(C)C)[H][BH2][H]3
• Title of publication: Coordination mode and stability of the tetrahydroborate ligand in group 10 metal pincer complexes
• Authors of publication: Chang, Jiarui; Ding, Man; Kang, Jiaxin; Zhang, Jie; Chen, Xuenian
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 11.6767 ± 0.0001 Å
• b: 14.5335 ± 0.0001 Å
• c: 32.1537 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5456.59 ± 0.08 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.082
• Weighted residual factors for all reflections included in the refinement: 0.0839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No