Information card for entry 7104355

Structure parameters

• Formula: C102 H84 Cd2 Cl4 N26 O8
• Calculated formula: C102 H84 Cd2 Cl4 N26 O8
• SMILES: c1cnccc1/C=N/c1ccc(/N=C/c2ccncc2)cc1.[N]123[Cd](Cl)([n]4c(C1)[nH]c1ccccc41)([n]1c(C2)[nH]c2ccccc12)[n]1c(C3)[nH]c2ccccc12.[O-]Cl(=O)(=O)=O.c1cnccc1/C=N/c1ccc(/N=C/c2ccncc2)cc1.c1cnccc1/C=N/c1ccc(/N=C/c2ccncc2)cc1.C1c2[n](c3c(cccc3)[nH]2)[Cd]23([N]1(Cc1[n]2c2c(cccc2)[nH]1)Cc1[n]3c2c(cccc2)[nH]1)Cl.[O-]Cl(=O)(=O)=O
• Title of publication: Self-assembly of 2D Borromean networks through hydrogen-bonding recognition.
• Authors of publication: Jang, Ji-Jun; Li, Lei; Yang, Tao; Kuang, Dai-Bin; Wang, Wei; Su, Cheng-Yong
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 17
• Pages of publication: 2387 - 2389
• a: 16.6537 ± 0.0009 Å
• b: 16.6537 ± 0.0009 Å
• c: 33.4873 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8043.3 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.1719
• Residual factor for significantly intense reflections: 0.0872
• Weighted residual factors for significantly intense reflections: 0.2196
• Weighted residual factors for all reflections included in the refinement: 0.2451
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No