Information card for entry 7207785

Structure parameters

• Formula: C62 H68 Cu6 I2 Mo2 N14 O6 S6
• Calculated formula: C62 H61 Cu6 I2 Mo2 N14 O6 S6
• Title of publication: External template-assisted self-assembly: design and synthesis of the [MoOS3Cu3]+ based supramolecular polymeric clusters
• Authors of publication: Wang, Hong-Mei; Han, Yi; Niu, Yun-Yin; Zhang, Zhen-Hua; Hou, Hong-Wei; Zhu, Yu
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 9
• Pages of publication: 3125
• a: 21.25 ± 0.001 Å
• b: 21.2819 ± 0.0008 Å
• c: 18.1026 ± 0.0007 Å
• α: 90°
• β: 96.336 ± 0.004°
• γ: 90°
• Cell volume: 8136.7 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1197
• Weighted residual factors for all reflections included in the refinement: 0.1324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No