Information card for entry 7104356

Structure parameters

• Formula: C102 H84 Cl4 Mn2 N26 O8
• Calculated formula: C102 H84 Cl4 Mn2 N26 O8
• SMILES: C1c2[n](c3c([nH]2)cccc3)[Mn]2(Cl)[n]3c(CN1Cc1[n]2c2c(cccc2)[nH]1)[nH]c1ccccc31.N(=C\c1ccncc1)/c1ccc(/N=C/c2ccncc2)cc1.[O-]Cl(=O)(=O)=O.c1nccc(c1)/C=N/c1ccc(/N=C/c2ccncc2)cc1.c1nccc(c1)/C=N/c1ccc(/N=C/c2ccncc2)cc1.C1c2[n](c3c(cccc3)[nH]2)[Mn]2([n]3c(CN1Cc1[n]2c2c(cccc2)[nH]1)[nH]c1ccccc31)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: 16.541 ± 0.008 Å
• b: 16.541 ± 0.008 Å
• c: 33.39 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7912 ± 6 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: 0.2663
• Residual factor for significantly intense reflections: 0.1335
• Weighted residual factors for significantly intense reflections: 0.3076
• Weighted residual factors for all reflections included in the refinement: 0.3434
• 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: No
• Has Fobs: No