Information card for entry 4085392

Structure parameters

• Formula: C254 H236 N29 O77 Re12 Se12
• Calculated formula: C254 H236 N29 O77 Re12 Se12
• Title of publication: Multicomponent Self-Assembly of Thiolato- and Selenato-Bridged Ester-Functionalized Rhenium(I)-Based Trigonal Metallaprisms: Synthesis and Structural Characterization
• Authors of publication: Nagarajaprakash, R.; Ashok Kumar, Chowan; Mobin, Shaikh M.; Manimaran, Bala.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 4
• Pages of publication: 724
• a: 14.3173 ± 0.0002 Å
• b: 23.7212 ± 0.0004 Å
• c: 24.7775 ± 0.0004 Å
• α: 114.078 ± 0.0015°
• β: 103.601 ± 0.0013°
• γ: 90.4509 ± 0.0012°
• Cell volume: 7416.1 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0616
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1251
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No