Information card for entry 7104402

Structure parameters

• Formula: C44 H36 B2 Co F8 N6
• Calculated formula: C44 H36 B2 Co F8 N6
• SMILES: c12cccc3C=[N](c4ccccc4)[Co]45([n]13)([N](=C2)c1ccccc1)[n]1c(cccc1C=[N]4c1ccccc1)C=[N]5c1ccccc1.[B](F)(F)(F)[F-].c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: Constitutional self-sorting of homochiral supramolecular helical single crystals from achiral components.
• Authors of publication: Dumitru, Florina; Legrand, Yves-Marie; Van der Lee, Arie; Barboiu, Mihail
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 19
• Pages of publication: 2667 - 2669
• a: 12.4612 ± 0.0005 Å
• b: 15.4657 ± 0.0007 Å
• c: 21.0453 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4055.9 ± 0.3 ų
• Cell temperature: 175 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 54
• Hermann-Mauguin space group symbol: P b c b
• Hall space group symbol: -P 2bc 2b
• Residual factor for all reflections: 0.1626
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections included in the refinement: 0.0417
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No