Information card for entry 7037415

Structure parameters

• Formula: C28 H31 In N6
• Calculated formula: C28 H31 In N6
• SMILES: C1(=N[N](c2ccccc2)[In](C)(C)([N](c2ccccc2)=N1)[n]1ccc(cc1)N(C)C)c1ccccc1
• Title of publication: Formazanido complexes of heavier group 13 elements aluminium, gallium, and indium.
• Authors of publication: Schorn, W.; Grosse-Hagenbrock, D; Oelkers, B.; Sundermeyer, J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 3
• Pages of publication: 1201 - 1207
• a: 16.9585 ± 0.0008 Å
• b: 10.4646 ± 0.0005 Å
• c: 15.202 ± 0.0007 Å
• α: 90°
• β: 104.804 ± 0.002°
• γ: 90°
• Cell volume: 2608.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0232
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0442
• Weighted residual factors for all reflections included in the refinement: 0.0462
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No