Information card for entry 7109212

Structure parameters

• Formula: C50 H47 Cu4 I4 N9 S4
• Calculated formula: C50 H47 Cu4 I4 N9 S4
• 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: 9.2606 ± 0.0019 Å
• b: 11.579 ± 0.002 Å
• c: 14.14 ± 0.003 Å
• α: 83.58 ± 0.03°
• β: 80.89 ± 0.03°
• γ: 78.86 ± 0.03°
• Cell volume: 1463.7 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1416
• Weighted residual factors for all reflections included in the refinement: 0.1584
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No