Information card for entry 7010412

Structure parameters

• Formula: C36 H96 In6 N6
• Calculated formula: C36 H96 In6 N6
• SMILES: C[In](C)([N]1(C)CC[N](C)(CC[N](CC[N](C)(CC[N](C)(CC[N](CC1)(C)[In](C)(C)C)[In](C)(C)C)[In](C)(C)C)(C)[In](C)(C)C)[In](C)(C)C)C
• Title of publication: Synthesis and crystal structures of trimethylindium adducts with bidentate and macrocyclic tertiary amines
• Authors of publication: Coward, Kathleen M.; Jones, Anthony C.; Steiner, Alexander; Bickley, Jamie F.; Smith, Lesley M.; Pemble, Martyn E.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 1
• Pages of publication: 41
• a: 10.6624 ± 0.0016 Å
• b: 22.856 ± 0.003 Å
• c: 11.6461 ± 0.0017 Å
• α: 90°
• β: 108.184 ± 0.017°
• γ: 90°
• Cell volume: 2696.4 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0389
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.058
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No