Information card for entry 7712200

Structure parameters

• Formula: C42 H60 B N4 P
• Calculated formula: C42 H60 B N4 P
• Title of publication: Towards hydrogen-rich ionic (NH4)(BH3NH2BH2NH2BH3) and related molecular NH3BH2NH2BH2NH2BH3
• Authors of publication: Owarzany, Rafał; Jaroń, Tomasz; Kazimierczuk, Krzysztof; Malinowski, Przemysław J.; Grochala, Wojciech; Fijalkowski, Karol J.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.7376 ± 0.0003 Å
• b: 19.5388 ± 0.0005 Å
• c: 20.5479 ± 0.0004 Å
• α: 61.751 ± 0.002°
• β: 73.618 ± 0.002°
• γ: 89.605 ± 0.002°
• Cell volume: 3937.71 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.088
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1907
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No