Information card for entry 7249524

Structure parameters

• Formula: C54 H51 Cl N18 O3 S5 Zn3
• Calculated formula: C54 H51 Cl N18 O3 S5 Zn3
• Title of publication: Synthesis, crystal structures and luminescence properties of Zn(ii) and Cd(ii) coordination compounds assembled from flexible bis(quinolyl) ligands with symmetrical spacers: the influence of coordinated anions
• Authors of publication: Zhang, Guoqiang; Pan, Rongkai; Liu, Shenggui; Chen, Huihui
• Journal of publication: CrystEngComm
• Year of publication: 2024
• Journal volume: 26
• Journal issue: 46
• Pages of publication: 6627 - 6639
• a: 9.9962 ± 0.0009 Å
• b: 17.1239 ± 0.0015 Å
• c: 18.0077 ± 0.0015 Å
• α: 88.751 ± 0.007°
• β: 80.7 ± 0.007°
• γ: 86.179 ± 0.007°
• Cell volume: 3035 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1281
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1595
• Weighted residual factors for all reflections included in the refinement: 0.1927
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No