Information card for entry 7247223

Structure parameters

• Formula: C100 H88 Cl4 N4 O4 Zn2
• Calculated formula: C100 H88 Cl4 N4 O4 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: 13.7962 ± 0.0011 Å
• b: 17.9965 ± 0.0012 Å
• c: 20.997 ± 0.0015 Å
• α: 75.579 ± 0.004°
• β: 72.959 ± 0.005°
• γ: 88.789 ± 0.005°
• Cell volume: 4819.7 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.2581
• Residual factor for significantly intense reflections: 0.132
• Weighted residual factors for significantly intense reflections: 0.3165
• Weighted residual factors for all reflections included in the refinement: 0.4546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No