Information card for entry 4350197

Structure parameters

• Formula: C27 H28 N8 O12
• Calculated formula: C27 H28 N8 O12
• SMILES: O=C(NCC[NH+](CCNC(=O)c1cc(N(=O)=O)ccc1)CCNC(=O)c1cc(N(=O)=O)ccc1)c1cc(N(=O)=O)ccc1.O=N(=O)[O-]
• Title of publication: Synthesis and characterization of a tripodal amide ligand and its binding with anions of different dimensionality.
• Authors of publication: Lakshminarayanan, P. S.; Suresh, Eringathodi; Ghosh, Pradyut
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 11
• Pages of publication: 4372 - 4380
• a: 8.9077 ± 0.0007 Å
• b: 11.3308 ± 0.001 Å
• c: 15.506 ± 0.0013 Å
• α: 71.749 ± 0.001°
• β: 80.784 ± 0.002°
• γ: 74.304 ± 0.002°
• Cell volume: 1426 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0564
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1364
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No