Information card for entry 4303134

Structure parameters

• Formula: C11 H24 Br2 Cu13 N3 S8
• Calculated formula: C11 H24 Br2 Cu13 N3 S8
• Title of publication: A 12-Connected Dodecanuclear Copper Cluster with Yellow Luminescence
• Authors of publication: Xi Liu; Kun-Lin Huang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 8653 - 8655
• a: 9.2047 ± 0.0005 Å
• b: 9.5696 ± 0.0011 Å
• c: 9.8376 ± 0.0005 Å
• α: 83.385 ± 0.014°
• β: 71.064 ± 0.012°
• γ: 85.892 ± 0.018°
• Cell volume: 813.65 ± 0.13 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: 0.0745
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1417
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No