Information card for entry 7242033

Structure parameters

• Formula: C112 H108 Ag2 Cl2 N6 O34
• Calculated formula: C112 H108 Ag2 Cl2 N6 O34
• Title of publication: Unusual porous crystals via catenation of 1D ladders: unprecedented mixture effects on the adsorption of xylene isomers in a SCSC mode
• Authors of publication: Lee, Soojin; Kim, Dongwon; Park, In-Hyeok; Jung, Ok-Sang
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 1
• Pages of publication: 40 - 46
• a: 12.519 ± 0.003 Å
• b: 13.668 ± 0.003 Å
• c: 16.827 ± 0.003 Å
• α: 99.56 ± 0.03°
• β: 108.37 ± 0.03°
• γ: 95.92 ± 0.03°
• Cell volume: 2657.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0818
• Residual factor for significantly intense reflections: 0.0724
• Weighted residual factors for significantly intense reflections: 0.206
• Weighted residual factors for all reflections included in the refinement: 0.2117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.7 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No