Information card for entry 7249525

Structure parameters

• Formula: C42 H48 Cl3.8 I0.2 N12 O12 Zn4
• Calculated formula: C42 H48 Cl3.7986 I0.2014 N12 O12 Zn4
• 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: 11.0324 ± 0.0002 Å
• b: 11.5939 ± 0.0002 Å
• c: 11.6322 ± 0.0002 Å
• α: 87.6516 ± 0.0012°
• β: 64.7318 ± 0.001°
• γ: 75.0133 ± 0.0011°
• Cell volume: 1295.62 ± 0.04 ų
• Cell temperature: 158 ± 2 K
• Ambient diffraction temperature: 158 ± 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: 0.0324
• Residual factor for significantly intense reflections: 0.0267
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.0664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No