Information card for entry 7130473

Structure parameters

• Common name: KCryptHNiBL
• Formula: C64 H105 B K N6 Ni O6 P3
• Calculated formula: C64 H105 B K N6 Ni O6 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: 16.9341 ± 0.0014 Å
• b: 22.9728 ± 0.0019 Å
• c: 18.7504 ± 0.0013 Å
• α: 90°
• β: 112.891 ± 0.002°
• γ: 90°
• Cell volume: 6719.9 ± 0.9 ų
• Cell temperature: 125 ± 2 K
• Ambient diffraction temperature: 125 ± 2 K
• Number of distinct elements: 8
• 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: 0.084
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.0961
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No