Information card for entry 7038884

Structure parameters

• Formula: C24 H21 N9 O7
• Calculated formula: C24 H21 N9 O7
• SMILES: n1(Cc2cc(cc(c2)Cn2ccnc2)Cn2ccnc2)cncc1.N(=O)(=O)c1c(O)c(N(=O)=O)cc(N(=O)=O)c1
• Title of publication: Mixed ligand two dimensional Cd(ii)/Ni(ii) metal organic frameworks containing dicarboxylate and tripodal N-donor ligands: Cd(ii) MOF is an efficient luminescent sensor for detection of picric acid in aqueous media.
• Authors of publication: Rachuri, Yadagiri; Parmar, Bhavesh; Bisht, Kamal Kumar; Suresh, Eringathodi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 18
• Pages of publication: 7881 - 7892
• a: 23.224 ± 0.003 Å
• b: 4.5446 ± 0.0005 Å
• c: 23.134 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2441.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1036
• Residual factor for significantly intense reflections: 0.0853
• Weighted residual factors for significantly intense reflections: 0.1722
• Weighted residual factors for all reflections included in the refinement: 0.1819
• Goodness-of-fit parameter for all reflections included in the refinement: 1.14
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No