Information card for entry 4305740

Structure parameters

• Formula: C11 H8 Cu3 N3 S2
• Calculated formula: C11 H8 Cu3 N3 S2
• Title of publication: Cu6S4 Cluster Based Twelve-Connected Face-Centered Cubic and Cu19I4S12 Cluster Based Fourteen-Connected Body-Centered Cubic Topological Coordination Polymers
• Authors of publication: Zheng-Ming Hao; Rui-Qin Fang; Hai-Shun Wu; Xian-Ming Zhang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8197 - 8203
• a: 10.2175 ± 0.0008 Å
• b: 10.217 Å
• c: 15.4618 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1614.09 ± 0.19 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 121
• Hermann-Mauguin space group symbol: I -4 2 m
• Hall space group symbol: I -4 2
• Residual factor for all reflections: 0.0384
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0942
• Weighted residual factors for all reflections included in the refinement: 0.0959
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No