Information card for entry 7130471

Structure parameters

• Common name: NiBL
• Formula: C39 H60 B N4 Ni P3
• Calculated formula: C39 H60 B N4 Ni P3
• Title of publication: Toggling the Z-type interaction off-on in nickel-boron dihydrogen and anionic hydride complexes.
• Authors of publication: Prat, Jacob R.; Cammarota, Ryan C.; Graziano, Brendan J.; Moore, James T.; Lu, Connie C.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2022
• Journal volume: 58
• Journal issue: 63
• Pages of publication: 8798 - 8801
• a: 14.9296 ± 0.0011 Å
• b: 14.9296 ± 0.0011 Å
• c: 23.2119 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4480.6 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 165
• Hermann-Mauguin space group symbol: P -3 c 1
• Hall space group symbol: -P 3 2"c
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0827
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No