Information card for entry 7033913

Structure parameters

• Formula: C42 H85 Cu7 N6 Se12
• Calculated formula: C42 H85 Cu6.9998 N6 Se12
• Title of publication: Copper(i) diselenocarbamate clusters: synthesis, structures and single-source precursors for Cu and Se composite materials.
• Authors of publication: Dhayal, Rajendra S.; Liao, Jian-Hong; Hou, Hsing-Nan; Ervilita, Ria; Liao, Ping-Kuei; Liu, C. W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5898 - 5908
• a: 15.3215 ± 0.0005 Å
• b: 15.3215 ± 0.0005 Å
• c: 24.1704 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4913.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0466
• Weighted residual factors for all reflections included in the refinement: 0.0477
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No