Information card for entry 4349615

Structure parameters

• Formula: C18 H12 Cl2 N2 O2 Zn
• Calculated formula: C18 H12 Cl2 N2 O2 Zn
• SMILES: [Zn]1(Cl)(Cl)[O]=C2N(Cc3[n]1cccc3)C(=O)c1cccc3cccc2c13
• 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: 7.3139 ± 0.0002 Å
• b: 8.5996 ± 0.0003 Å
• c: 14.4546 ± 0.0005 Å
• α: 94.943 ± 0.001°
• β: 102.033 ± 0.001°
• γ: 113.978 ± 0.001°
• Cell volume: 797.44 ± 0.05 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.025
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0546
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No