Information card for entry 7119523

Structure parameters

• Formula: C26 H26 Cl2 N6 O2 Zn
• Calculated formula: C26 H26 Cl2 N6 O2 Zn
• SMILES: c1c(ccc[n]1[Zn](Cl)(Cl)[n]1cc(ccc1)CNC(=O)Nc1ccccc1)CNC(=O)Nc1ccccc1
• Title of publication: Metal 'turn-off', anion 'turn-on' gelation cascade in pyridinylmethyl ureas.
• Authors of publication: Offiler, Caroline A.; Jones, Christopher D.; Steed, Jonathan W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 12
• Pages of publication: 2024 - 2027
• a: 12.4837 ± 0.0007 Å
• b: 23.7851 ± 0.0013 Å
• c: 8.6713 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2574.7 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No