Information card for entry 7114372

Structure parameters

• Formula: C78 H108 Cl2 In2 N6
• Calculated formula: C78 H108 Cl2 In2 N6
• SMILES: C1C=[N](c2c(cccc2C(C)C)C(C)C)[In]([N]=1c1c(cccc1C(C)C)C(C)C)(Cl)[In]1([N](=CC=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)Cl.C(=N\c1c(cccc1C(C)C)C(C)C)/C=N\c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis and characterisation of the first carbene and diazabutadiene‒indium(ii) complexesElectronic supplementary information (ESI) available: synthetic details. See http://www.rsc.org/suppdata/cc/b2/b202532a/
• Authors of publication: Baker, Robert J.; Farley, Robert D.; Jones, Cameron; Kloth, Marc; Murphy, Damien M.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 11
• Pages of publication: 1196
• a: 12.301 ± 0.003 Å
• b: 13.135 ± 0.003 Å
• c: 13.761 ± 0.003 Å
• α: 69.33 ± 0.03°
• β: 64.94 ± 0.03°
• γ: 77.37 ± 0.03°
• Cell volume: 1878.2 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.0888
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No