Information card for entry 1556594

Structure parameters

• Formula: C25 H37 In N2
• Calculated formula: C25 H37 In N2
• SMILES: C1(N(c2c(cc(cc2C)C)C)CCCN1c1c(cc(cc1C)C)C)=[In](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: 9.568 ± 0.0003 Å
• b: 16.9878 ± 0.0004 Å
• c: 16.0384 ± 0.0005 Å
• α: 90°
• β: 106.868 ± 0.003°
• γ: 90°
• Cell volume: 2494.71 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0311
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0601
• Weighted residual factors for all reflections included in the refinement: 0.0646
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No