Information card for entry 7040844

Structure parameters

• Formula: C20 H14 Br2 Cu4 N4 S2
• Calculated formula: C20 H14 Br2 Cu4 N4 S2
• Title of publication: Copper(i) 5-phenylpyrimidine-2-thiolate complexes showing unique optical properties and high visible light-directed catalytic performance.
• Authors of publication: Zhang, Meng-Juan; Li, Hong-Xi; Li, Hai-Yan; Lang, Jian-Ping
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 44
• Pages of publication: 17759 - 17769
• a: 8.3588 ± 0.0006 Å
• b: 9.3642 ± 0.0007 Å
• c: 14.7668 ± 0.0011 Å
• α: 88.688 ± 0.004°
• β: 76.13 ± 0.004°
• γ: 85.922 ± 0.004°
• Cell volume: 1119.29 ± 0.14 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.1126
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1883
• Weighted residual factors for all reflections included in the refinement: 0.2219
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No