Information card for entry 4349616

Structure parameters

• Formula: C80 H64 Cl6 Co3 N12 O10
• Calculated formula: C80 H64 Cl6 Co3 N12 O10
• SMILES: c1cccc2CN3C(=O)c4cccc5cccc(C3=[O][Co]3([n]12)([OH2])([n]1ccccc1CN1C(=O)c2cccc6cccc(C1=[O]3)c26)[OH2])c45.[n]1(ccccc1CN1C(=O)c2cccc3cccc(C1=O)c23)[Co](Cl)(Cl)Cl.N#CC.C(#N)C.[n]1(ccccc1CN1C(=O)c2cccc3cccc(C1=O)c23)[Co](Cl)(Cl)Cl.N#CC.N#CC
• Title of publication: Coordination chemistry of N-picolyl-1,8-naphthalimides: colourful low molecular weight metallo-gelators and unique chelation behaviours
• Authors of publication: Lovitt, June I.; Hawes, Chris S.; Lynes, Amy D.; Haffner, Benjamin; Möbius, Matthias E.; Gunnlaugsson, Thorfinnur
• Journal of publication: Inorganic Chemistry Frontiers
• Year of publication: 2017
• Journal volume: 4
• Journal issue: 2
• Pages of publication: 296
• a: 16.4021 ± 0.0005 Å
• b: 13.3749 ± 0.0004 Å
• c: 17.2099 ± 0.0006 Å
• α: 90°
• β: 92.7917 ± 0.001°
• γ: 90°
• Cell volume: 3771 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0824
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No