Information card for entry 7041451

Structure parameters

• Formula: C30 H47 In N2
• Calculated formula: C30 H47 In N2
• SMILES: [In](C)(C)(C)=C1N(CCN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C
• Title of publication: Aryl-NHC-group 13 trimethyl complexes: structural, stability and bonding insights.
• Authors of publication: Wu, Melissa M.; Gill, Arran M.; Yunpeng, Lu; Yongxin, Li; Ganguly, Rakesh; Falivene, Laura; García, Felipe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 854 - 864
• a: 34.7678 ± 0.0011 Å
• b: 9.9342 ± 0.0002 Å
• c: 16.838 ± 0.0005 Å
• α: 90°
• β: 97.1092 ± 0.0012°
• γ: 90°
• Cell volume: 5771 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0459
• Residual factor for significantly intense reflections: 0.0318
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0848
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No