Information card for entry 7048372

Structure parameters

• Formula: C115 H94 Cl3 Cu3 N10 O4 P6
• Calculated formula: C115 H94 Cl3 Cu3 N10 O4 P6
• Title of publication: Polynuclear Cu(i) and Ag(i) phosphine complexes containing multi-dentate polytopic ligands: syntheses, crystal structures and photoluminescence properties.
• Authors of publication: Xiang, Jing; Cheng, Shun-Cheung; Jin, Xin-Xin; Su, Qian-Qian; Zhou, Xin; Chu, Wing-Kin; Leung, Chi-Fai; Ko, Chi-Chiu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 2
• Pages of publication: 741 - 750
• a: 23.8897 ± 0.0012 Å
• b: 19.2103 ± 0.0008 Å
• c: 22.9234 ± 0.0011 Å
• α: 90°
• β: 95.4 ± 0.005°
• γ: 90°
• Cell volume: 10473.5 ± 0.9 ų
• Cell temperature: 127 ± 3 K
• Ambient diffraction temperature: 127 ± 3 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1065
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.2
• Goodness-of-fit parameter for all reflections included in the refinement: 0.887
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No