Information card for entry 7134762

Structure parameters

• Formula: C58 H74 B Bi N2 Ni P2
• Calculated formula: C58 H74 B Bi N2 Ni P2
• Title of publication: Reversible CO binding at a nickel complex supported by an ambiphilic PBiP tridentate ligand.
• Authors of publication: Yoo, Dagyum; Brannan, Alexander C.; Lim, Soohyun; Lee, Heui Beom; Lee, Yunho
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2025
• Journal volume: 61
• Journal issue: 61
• Pages of publication: 11453 - 11456
• a: 11.0192 ± 0.0001 Å
• b: 50.5458 ± 0.0006 Å
• c: 29.036 ± 0.0002 Å
• α: 90°
• β: 91.575 ± 0.001°
• γ: 90°
• Cell volume: 16166.2 ± 0.3 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• 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: 0.0637
• Residual factor for significantly intense reflections: 0.0562
• Weighted residual factors for significantly intense reflections: 0.1452
• Weighted residual factors for all reflections included in the refinement: 0.1487
• Goodness-of-fit parameter for all reflections included in the refinement: 1.151
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No