Information card for entry 4349613

Structure parameters

• Formula: C36 H22 Cl2 Co N6 O8
• Calculated formula: C36 H22 Cl2 Co N6 O8
• SMILES: c1cccc2CN3C(=O)c4cccc5c(N(=O)=O)ccc(C3=[O][Co]3([n]12)(Cl)([n]1ccccc1CN1C(=O)c2cccc6c(N(=O)=O)ccc(C1=[O]3)c26)Cl)c45
• 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: 9.1182 ± 0.0004 Å
• b: 23.7237 ± 0.0013 Å
• c: 7.2314 ± 0.0004 Å
• α: 90°
• β: 103.296 ± 0.004°
• γ: 90°
• Cell volume: 1522.35 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0918
• Residual factor for significantly intense reflections: 0.0792
• Weighted residual factors for significantly intense reflections: 0.2224
• Weighted residual factors for all reflections included in the refinement: 0.2319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No