Information card for entry 1544975

Structure parameters

• Formula: C23 H25 F6 Ga N2 O6 S2
• Calculated formula: C23 H25 F6 Ga N2 O6 S2
• SMILES: [GaH](OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Azido- and amido-substituted gallium hydrides supported by N-heterocyclic carbenes.
• Authors of publication: Swarnakar, Anindya K.; Ferguson, Michael J.; McDonald, Robert; Rivard, Eric
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 5
• Pages of publication: 1406 - 1412
• a: 12.2187 ± 0.001 Å
• b: 15.2841 ± 0.0013 Å
• c: 15.7675 ± 0.0013 Å
• α: 90°
• β: 102.522 ± 0.004°
• γ: 90°
• Cell volume: 2874.6 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0357
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0953
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No