Information card for entry 7217022

Structure parameters

• Formula: C88 H207 As4 N13 O216 Re12 W44
• Calculated formula: C88 H156 As4 N13 O216 Re12 W44
• Title of publication: A monovacant heteropolytungstate-incorporated trimeric carbonyl rhenium cluster, [(AsW11O39){Re(CO)3}3(μ3-OH)(μ2-OH)]6−: synthesis, structure and catalytic properties
• Authors of publication: Zhang, Yanhui; Zhang, Dongdi; Huo, Zhiyuan; Ma, Pengtao; Niu, Jingyang; Wang, Jingping
• Journal of publication: RSC Advances
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 55
• Pages of publication: 28848
• a: 23.4276 ± 0.0004 Å
• b: 23.4276 ± 0.0004 Å
• c: 32.0967 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 17616.4 ± 0.7 ų
• Cell temperature: 124.8 ± 0.3 K
• Ambient diffraction temperature: 124.8 ± 0.3 K
• Number of distinct elements: 7
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for all reflections: 0.1079
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1572
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No