Information card for entry 7249523

Structure parameters

• Formula: C27 H31.5 Cd2 I3 N8 O4.25
• Calculated formula: C27 H31.5 Cd2 I3 N8 O4.25
• 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: 12.5273 ± 0.0011 Å
• b: 13.4647 ± 0.0017 Å
• c: 13.625 ± 0.002 Å
• α: 60.806 ± 0.015°
• β: 67.338 ± 0.012°
• γ: 81.515 ± 0.009°
• Cell volume: 1849.1 ± 0.5 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.1261
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1075
• Weighted residual factors for all reflections included in the refinement: 0.1359
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No