Information card for entry 4332253

Structure parameters

• Formula: C15 H15 Cu3 I N3 O Se3 W
• Calculated formula: C15 H15 Cu3 I N3 O Se3 W
• Title of publication: Construction of New Heteroselenometallic Clusters: Formation of Crownlike [Et4N]4[(μ5-WSe4)(CuI)5(μ-I)2] and Octahedral Polymeric [(μ6-WSe4)Cu6I4(py)4]nfrom Planar [Et4N]4[(μ4-WSe4)Cu4I6] with Additional Faces
• Authors of publication: Zhang, Qian-Feng; Yu, Zhan; Ding, Jihai; Song, Yinglin; Rothenberger, Alexander; Fenske, Dieter; Leung, Wa-Hung
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 13
• Pages of publication: 5187 - 5195
• a: 8.2156 ± 0.0016 Å
• b: 8.8229 ± 0.0018 Å
• c: 15.84 ± 0.003 Å
• α: 102.88 ± 0.03°
• β: 97.93 ± 0.03°
• γ: 94.94 ± 0.03°
• Cell volume: 1100.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1178
• Weighted residual factors for all reflections included in the refinement: 0.1258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No