Information card for entry 7033911

Structure parameters

• Formula: C42 H85 Cu8 F6 N6 P Se12
• Calculated formula: C42 H85 Cu8 F6 N6 P 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: 15.5076 ± 0.0011 Å
• b: 15.5076 ± 0.0011 Å
• c: 18.534 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3860 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.076
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No