Information card for entry 4349060

Structure parameters

• Formula: C54 H72 Cl6 Cu2 Mo3 N6 S4
• Calculated formula: C54 H70.2 Cl6 Cu2 Mo3 N6 S4
• Title of publication: Kinetics Aspects of the Reversible Assembly of Copper in Heterometallic Mo₃CuS₄ Clusters with 4,4'-Di-tert-butyl-2,2'-bipyridine.
• Authors of publication: Pino-Chamorro, Jose Ángel; Laricheva, Yuliya A.; Guillamón, Eva; Fernández-Trujillo, M Jesús; Algarra, Andrés G; Gushchin, Artem L.; Abramov, Pavel A.; Bustelo, Emilio; Llusar, Rosa; Sokolov, Maxim N.; Basallote, Manuel G.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 19
• Pages of publication: 9912 - 9922
• a: 17.148 ± 0.0016 Å
• b: 19.0085 ± 0.0018 Å
• c: 24.8846 ± 0.0019 Å
• α: 90°
• β: 104.825 ± 0.002°
• γ: 90°
• Cell volume: 7841.3 ± 1.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• 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: 0.0999
• Residual factor for significantly intense reflections: 0.0597
• Weighted residual factors for significantly intense reflections: 0.1778
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No