Information card for entry 7218856

Structure parameters

• Formula: C18 H14.2 N2 O5.1 S2 Zn
• Calculated formula: C18 H14.2 N2 O5.1 S2 Zn
• Title of publication: A 3D porous supramolecular architecture via π‒π assembly of 2D metal‒organic frameworks (MOFs): structure-versus-luminescence reversibility and gas adsorption properties
• Authors of publication: Wang, Chih-Chieh; Sheu, Gia-Bin; Ke, Szu-Yu; Shin, Chi-Yang; Cheng, Yu-Jen; Chen, Yi-Ting; Cho, Chia-Hsing; Ho, Mei-Lin; Chen, Wen-Tin; Liao, Ru-Hsio; Lee, Gene-Hsiang; Sheu, Hwo-Shuenn
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 6
• Pages of publication: 1264
• a: 9.5666 ± 0.0004 Å
• b: 11.54 ± 0.0005 Å
• c: 11.8627 ± 0.0005 Å
• α: 67.61 ± 0.001°
• β: 80.961 ± 0.001°
• γ: 68.932 ± 0.001°
• Cell volume: 1129.64 ± 0.08 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0491
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1579
• Weighted residual factors for all reflections included in the refinement: 0.1604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No