Information card for entry 7041449

Structure parameters

• Formula: C24 H33 In N2
• Calculated formula: C24 H33 In N2
• SMILES: [In](C)(C)(C)=C1N(C=CN1c1c(C)cc(C)cc1C)c1c(C)cc(C)cc1C
• 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: 17.7812 ± 0.0005 Å
• b: 16.4794 ± 0.0005 Å
• c: 16.1136 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4721.7 ± 0.2 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0842
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1681
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No