Information card for entry 7018688

Structure parameters

• Formula: C101 H82 Cl4 Co2 N12
• Calculated formula: C101 H82 Cl4 Co2 N12
• SMILES: c1ccc2C(=c3cc4c[n]3[Co]356(n12)n1cccc1C(=c1[n]3cc(c1)C(c1cc2n(c1)[Co]13(n7cccc7C(=c7cc(c[n]17)C(c1cn5c(c1)C(=c1[n]6ccc1)c1ccccc1)(C)C)c1ccccc1)(n1cc(C4(C)C)cc1C(=c1[n]3ccc1)c1ccccc1)[n]1cccc1=C2c1ccccc1)(C)C)c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Diastereoselective generation of triple-stranded helicates induced by gem-dimethyl groups on a linker.
• Authors of publication: Zhang, Zhan; Chen, Yakun; Dolphin, David
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 4751 - 4753
• a: 28.2196 ± 0.0009 Å
• b: 12.5132 ± 0.0004 Å
• c: 23.8825 ± 0.0007 Å
• α: 90°
• β: 96.244 ± 0.002°
• γ: 90°
• Cell volume: 8383.3 ± 0.5 ų
• Cell temperature: 103 ± 0.1 K
• Ambient diffraction temperature: 103 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0715
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1131
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No