Information card for entry 7109211

Structure parameters

• Formula: C50 H47 Cu2 I2 N9 S2
• Calculated formula: C50 H44 Cu2 I2 N9 S2
• Title of publication: Cu30I16(mtpmt)12(mu10‒S4)]: an unusual 30‒membered copper(I) cluster derived from the C-S bond cleavage and its use in heterogeneous catalysis
• Authors of publication: Hong-Xi Li; Wei Zhao; Hai-Yan Li; Zhong-Lin Xu; Wen-Xia Wang; Jian-Ping Lang
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 4259
• a: 13.591 ± 0.003 Å
• b: 26.495 ± 0.005 Å
• c: 7.4948 ± 0.0015 Å
• α: 90°
• β: 96.05 ± 0.03°
• γ: 90°
• Cell volume: 2683.8 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0823
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1356
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No