Information card for entry 7041575

Structure parameters

• Formula: C36 H24 Cu N6 O10
• Calculated formula: C36 H24 Cu N6 O10
• SMILES: c1cc(cc[n]1[Cu]12(ON(=O)=[O]1)([n]1ccc(cc1)CN1C(=O)c3cccc4c3c(ccc4)C1=O)ON(=O)=[O]2)CN1C(=O)c2cccc3c2c(ccc3)C1=O
• Title of publication: Syntheses, crystal structures and photophysical properties of Cu(ii) complexes: fine tuning of a coordination sphere for selective binding of azamethiphos.
• Authors of publication: Raj, Pushap; Singh, Amanpreet; Singh, Ajnesh; Singh, Narinder
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 3
• Pages of publication: 985 - 994
• a: 27.0677 ± 0.0013 Å
• b: 7.5081 ± 0.0003 Å
• c: 16.0875 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3269.4 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0612
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No