Information card for entry 4506664

Structure parameters

• Formula: C40 H92 Cd13 N2 Ni8 O2 S36
• Calculated formula: C40 H88 Cd13 N2 Ni8 O2 S36
• Title of publication: Self-Assembly of [M13Ni8S8(edt)14]2‒(M = Cd, Zn): A New Type of Henicosnuclear Heterometallic Clusters Based on Two Primary Building Units
• Authors of publication: Jiang, Hao; Sheng, Tianlu; Wang, Xin; Hu, Shengmin; Zhu, Qilong; Fu, Ruibiao; Yu, Peng; Wu, Xintao
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 9
• Pages of publication: 4295
• a: 20.661 ± 0.018 Å
• b: 18.301 ± 0.016 Å
• c: 26.84 ± 0.02 Å
• α: 90°
• β: 95.344 ± 0.016°
• γ: 90°
• Cell volume: 10105 ± 15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0569
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1283
• Weighted residual factors for all reflections included in the refinement: 0.1331
• Goodness-of-fit parameter for all reflections included in the refinement: 1.114
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No