Information card for entry 1544973

Structure parameters

• Formula: C34 H54 Cl F3 Ga N3 O3 S Si2
• Calculated formula: C34 H54 Cl F3 Ga N3 O3 S Si2
• SMILES: [Ga](Cl)(OS(=O)(=O)C(F)(F)F)(N([Si](C)(C)C)[Si](C)(C)C)=C1N(c2c(cccc2C(C)C)C(C)C)C=CN1c1c(cccc1C(C)C)C(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: 11.1905 ± 0.0002 Å
• b: 22.586 ± 0.0004 Å
• c: 16.2428 ± 0.0003 Å
• α: 90°
• β: 91.695 ± 0.0012°
• γ: 90°
• Cell volume: 4103.55 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 9
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No