Information card for entry 1559856

Structure parameters

• Formula: C30 H50 B2 N2 Ni O2 P2
• Calculated formula: C30 H49.532 B2 N2 Ni O2 P2
• Title of publication: Ambiphilic boryl groups in a neutral Ni(ii) complex: a new activation mode of H₂.
• Authors of publication: Ríos, Pablo; Borge, Javier; Fernández de Córdova, Francisco; Sciortino, Giuseppe; Lledós, Agustí; Rodríguez, Amor
• Journal of publication: Chemical science
• Year of publication: 2020
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 2540 - 2548
• a: 9.294 ± 0.0005 Å
• b: 15.3277 ± 0.0007 Å
• c: 11.7365 ± 0.0005 Å
• α: 90°
• β: 107.92 ± 0.002°
• γ: 90°
• Cell volume: 1590.82 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.56087 Å
• Diffraction radiation type: AgKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No