Information card for entry 7703892

Structure parameters

• Chemical name: [InCl(N3Dipp2)2]
• Formula: C48 H68 Cl In N6
• Calculated formula: C48 H68 Cl In N6
• SMILES: [In]12(Cl)(N(N=[N]1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[N](=NN2c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Bulky bis(aryl)triazenides: just aspiring amidinates? A structural and spectroscopic study.
• Authors of publication: Gyton, Matthew R.; Leverett, Anthony R.; Cole, Marcus L.; McKay, Alasdair I.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 17
• Pages of publication: 5653 - 5661
• a: 14.5014 ± 0.0004 Å
• b: 16.4263 ± 0.0004 Å
• c: 21.0903 ± 0.0006 Å
• α: 90°
• β: 109.584 ± 0.003°
• γ: 90°
• Cell volume: 4733.2 ± 0.2 ų
• Cell temperature: 112 ± 2 K
• Ambient diffraction temperature: 112 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0613
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No