Information card for entry 7247221

Structure parameters

• Formula: C58 H52 Cl4 N6 O2 Zn2
• Calculated formula: C58 H52 Cl4 N6 O2 Zn2
• Title of publication: Single crystals of cyclodimeric zinc(ii) complexes containing 9,10-bis((isoquinolin-5-yloxy)methyl)anthracene: reversible adsorption of target molecules and recognition of CH2I2 in an SCSC mode
• Authors of publication: Kim, Gyeongwoo; Han, Jihun; Kim, Dongwon; Jung, Ok-Sang
• Journal of publication: CrystEngComm
• Year of publication: 2023
• Journal volume: 25
• Journal issue: 36
• Pages of publication: 5077 - 5084
• a: 6.0205 ± 0.001 Å
• b: 18.3 ± 0.003 Å
• c: 23.836 ± 0.004 Å
• α: 90°
• β: 91.674 ± 0.005°
• γ: 90°
• Cell volume: 2625 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0661
• Residual factor for significantly intense reflections: 0.0451
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No