Information card for entry 4349617

Structure parameters

• Formula: C36 H28 Cl2 Mn N4 O6
• Calculated formula: C36 H28 Cl2 Mn N4 O6
• SMILES: c1cc2CN3C(c4cccc5cccc(C3=O)c45)=[O][Mn]3([n]2cc1)([n]1ccccc1CN1C(c2cccc4cccc(C1=O)c24)=[O]3)(Cl)Cl.O.O
• 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: 8.8451 ± 0.0004 Å
• b: 9.5894 ± 0.0004 Å
• c: 10.3016 ± 0.0004 Å
• α: 77.496 ± 0.001°
• β: 80.664 ± 0.001°
• γ: 64.163 ± 0.001°
• Cell volume: 765.48 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 99.99 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: 0.0405
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.076
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No