Information card for entry 1568974

Structure parameters

• Formula: C28 H41 B Cl6 Ga2 N2 O
• Calculated formula: C28 H41 B Cl6 Ga2 N2 O
• SMILES: [Ga]([Cl][Ga](Cl)(Cl)Cl)(Cl)(Cl)O[BH]=C1N(c2c(cccc2C(C)C)C(C)C)CCCN1c1c(C(C)C)cccc1C(C)C
• Title of publication: Taming the parent oxoborane.
• Authors of publication: Kundu, Gargi; Amrutha, P. R.; Raj, K. Vipin; Tothadi, Srinu; Vanka, Kumar; Sen, Sakya S.
• Journal of publication: Chemical science
• Year of publication: 2023
• Journal volume: 14
• Journal issue: 22
• Pages of publication: 5894 - 5898
• a: 10.613 ± 0.004 Å
• b: 11.052 ± 0.004 Å
• c: 18.616 ± 0.007 Å
• α: 76.655 ± 0.013°
• β: 88.743 ± 0.012°
• γ: 66.846 ± 0.013°
• Cell volume: 1947.7 ± 1.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0741
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for significantly intense reflections: 0.1313
• Weighted residual factors for all reflections included in the refinement: 0.1423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No