Information card for entry 7109677

Structure parameters

• Common name: LOMe_CoBF4_MeNO2_CHCl3
• Formula: C96 H68 B4 Cl12 Co2 F16 N12 O2 S4
• Calculated formula: C96 H68 B4 Cl12 Co2 F16 N12 O2 S4
• SMILES: [B](F)(F)(F)[F-].[B](F)(F)(F)[F-].c1cccc2c3cccc4[n]3[Co]356([n]12)[n]1c4scc1c1cccc(c1)c1cc(C)cc(c1OC)c1cccc(c2[n]4c(sc2)c2[n]7c(c8[n](cccc8)[Co]8947[n]4ccccc4c4cccc([n]84)c4[n]9c(cs4)c4cccc(c4)c4cc(cc(c4OC)c4cc(c7[n]6c(sc7)c6[n]5c(c5[n]3cccc5)ccc6)ccc4)C)ccc2)c1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: Steric control of the formation of dinuclear double helicate and dinuclear meso-helicate assemblies
• Authors of publication: David J. Cooke; Jasmine M. Cross; Rebecca V. Fennessy; Lindsay P. Harding; Craig R. Rice; Christopher Slater
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 7785
• a: 11.2403 ± 0.0004 Å
• b: 14.2668 ± 0.0006 Å
• c: 15.989 ± 0.0006 Å
• α: 97.916 ± 0.001°
• β: 102.704 ± 0.001°
• γ: 91.632 ± 0.001°
• Cell volume: 2472.85 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0611
• Weighted residual factors for significantly intense reflections: 0.1684
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No