Information card for entry 1556596

Structure parameters

• Formula: C38 H47 In N2 O
• Calculated formula: C38 H47 In N2 O
• SMILES: [In](OC(C)(c1ccccc1)c1ccccc1)(=C1N(CCCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)C
• Title of publication: Probing the Effect of Six-Membered N-Heterocyclic Carbene-6-Mes-on the Synthesis, Structure and Reactivity of Me2MOR(NHC) (M = Ga, In) Complexes
• Authors of publication: Cybularczyk-Cecotka, M.; Dabrowska, A.M.; Gunka, P.A.; Horeglad, P.
• Journal of publication: Inorganics
• Year of publication: 2018
• Journal volume: 6
• Pages of publication: 28
• a: 28.4159 ± 0.0012 Å
• b: 28.4159 ± 0.0012 Å
• c: 19.2051 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 15507.4 ± 1.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 110
• Hermann-Mauguin space group symbol: I 41 c d
• Hall space group symbol: I 4bw -2c
• Residual factor for all reflections: 0.0859
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.116
• Weighted residual factors for all reflections included in the refinement: 0.1532
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No