Information card for entry 7033910

Structure parameters

• Formula: C30 H58 Cl6 Cu4 N4 Se8
• Calculated formula: C30 H58 Cl6 Cu4 N4 Se8
• SMILES: C1([Se]2[Cu]3456[Se]=C(N(CCC)CCC)[Se]7[Cu]89%103[Cu]34([Cu]2578[Se]=C(N(CCC)CCC)[Se]93)([Se]=1)[Se]6C(N(CCC)CCC)=[Se]%10)N(CCC)CCC.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• 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: 11.7089 ± 0.0005 Å
• b: 17.4277 ± 0.0007 Å
• c: 26.6735 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5443 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P c a n
• Hall space group symbol: -P 2n 2c
• Residual factor for all reflections: 0.1028
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1661
• Weighted residual factors for all reflections included in the refinement: 0.1912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No