Information card for entry 1564486

Structure parameters

• Formula: C36 H90 Cl6 In2 Mo6 N18 O45
• Calculated formula: C36 H96 Cl6 In2 Mo6 N18 O45.9999
• Title of publication: Stabilization of titanium(IV) and indium(III) complexes by coordination of [MoO3(1,4,7-triazacyclononane)] metalloligand in aqueous solution
• Authors of publication: Sugiarto,; Kazakami, Shota; Kawamoto, Keisuke; Hayashi, Yoshihito
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 509
• Pages of publication: 119691
• a: 22.041 ± 0.0012 Å
• b: 22.041 ± 0.0012 Å
• c: 14.5043 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 6102.2 ± 0.6 ų
• Cell temperature: 93 ± 2 K
• Ambient diffraction temperature: 93 ± 2 K
• Number of distinct elements: 7
• Space group number: 146
• Hermann-Mauguin space group symbol: R 3 :H
• Hall space group symbol: R 3
• Residual factor for all reflections: 0.0559
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.146
• Weighted residual factors for all reflections included in the refinement: 0.1464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No