Information card for entry 7111994

Structure parameters

• Formula: Cl H100 Mn3 N11 Na4 O122 Se6 W24
• Calculated formula: Cl Mn3 N11 Na3.7 O122 Se6 W24
• Title of publication: Formation, self-assembly and transformation of a transient selenotungstate building block into clusters, chains and macrocycles
• Authors of publication: Jamie M. Cameron; Jing Gao; Laia Vila-Nadal; De-Liang Long; Leroy Cronin
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 2155
• a: 34.2145 ± 0.0006 Å
• b: 17.0782 ± 0.0002 Å
• c: 25.5489 ± 0.0005 Å
• α: 90°
• β: 123.828 ± 0.003°
• γ: 90°
• Cell volume: 12401.5 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0466
• Residual factor for significantly intense reflections: 0.0323
• Weighted residual factors for significantly intense reflections: 0.0715
• Weighted residual factors for all reflections included in the refinement: 0.0795
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No