Information card for entry 7200576

Structure parameters

• Formula: C40 H58.666 Br4 Cu6 N16 O13.333 S4 W
• Calculated formula: C40 H58.6672 Br4 Cu6 N16 O13.3333 S4 W
• Title of publication: Unusual three-dimensional coordination networks with [WS4Cu6] cluster nodes and α-C3N4 topology
• Authors of publication: Pan, Zhao-Rui; Yao, Xiao-Qiang; Zheng, He-Gen; Li, Yi-Zhi; Guo, Zi-Jian; Batten, Stuart R.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 4
• Pages of publication: 605
• a: 30.3934 ± 0.0018 Å
• b: 30.3934 ± 0.0018 Å
• c: 30.3934 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 28076 ± 3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 220
• Hermann-Mauguin space group symbol: I -4 3 d
• Hall space group symbol: I -4bd 2c 3
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0441
• Weighted residual factors for significantly intense reflections: 0.0843
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No