Information card for entry 7010371

Structure parameters

• Chemical name: [In(L-b)Cl2]
• Formula: C30 H54 Cl8 In N3 O
• Calculated formula: C30 H54 Cl8 In N3 O
• SMILES: [In]123(Cl)(Cl)[N]4(CC[N]1(CC[N]2(CC4)C(C)C)C(C)C)Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C.ClCCl.ClCCl.ClCCl
• Title of publication: New main-group and early transition-metal complexes of mono-pendant arm triazacyclononane ligands
• Authors of publication: Bylikin, Sergei Y.; Robson, David A.; Male, Nigel A. H.; Rees, Leigh H.; Mountford, Philip; Schröder, Martin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 2
• Pages of publication: 170
• a: 10.285 ± 0.008 Å
• b: 14.613 ± 0.006 Å
• c: 26.906 ± 0.004 Å
• α: 90°
• β: 99.539 ± 0.006°
• γ: 90°
• Cell volume: 3988 ± 4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0958
• Weighted residual factors for all reflections included in the refinement: 0.0178
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9379
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No