Information card for entry 7249526

Structure parameters

• Formula: C48 H44 Cd4 I6 N14 O2 S2
• Calculated formula: C48 H44 Cd4 I6 N14 O2 S2
• 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: 13.4958 ± 0.0005 Å
• b: 13.0911 ± 0.0006 Å
• c: 18.1432 ± 0.001 Å
• α: 90°
• β: 105.152 ± 0.005°
• γ: 90°
• Cell volume: 3094 ± 0.3 ų
• Cell temperature: 170 ± 0.1 K
• Ambient diffraction temperature: 170 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0932
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.0823
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No