Information card for entry 7707568

Structure parameters

• Formula: C52 H48 Cu4 I4 N4 S4
• Calculated formula: C52 H48 Cu4 I4 N4 S4
• Title of publication: Thermally induced transformation of a Cu₄I₄-based cluster to a Cu₂I₂-based cluster under mild conditions.
• Authors of publication: Jiang, Cheng-Gang; Yuan, Yan-Fang; Meng, Xiao-Yu; Zhou, Ke-Ke; Zhuang, Gui-Lin; Li, Bao; Zhang, Tianle
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 26
• Pages of publication: 9016 - 9020
• a: 10.031 ± 0.0009 Å
• b: 10.9399 ± 0.001 Å
• c: 14.234 ± 0.0012 Å
• α: 85.488 ± 0.002°
• β: 70.252 ± 0.002°
• γ: 73.99 ± 0.002°
• Cell volume: 1412.9 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296.6 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: 0.0333
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0567
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No