Information card for entry 7031360

Structure parameters

• Formula: C31 H44 Cl3 Ga N2 O
• Calculated formula: C31 H44 Cl3 Ga N2 O
• SMILES: [Ga](Cl)(Cl)(Cl)c1[n+](cn(c1)c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.O1CCCC1
• Title of publication: Synthesis and molecular structure of an abnormal carbene-gallium chloride complex.
• Authors of publication: Chen, Mingwei; Wang, Yuzhong; Gilliard, Robert J.; Jr,; Wei, Pingrong; Schwartz, Nichole A.; Robinson, Gregory H.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 38
• Pages of publication: 14211 - 14214
• a: 11.4236 ± 0.0006 Å
• b: 20.7234 ± 0.0011 Å
• c: 29.0681 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6881.5 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0826
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1181
• Weighted residual factors for all reflections included in the refinement: 0.1391
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No