Information card for entry 4350194

Structure parameters

• Formula: C27 H28 Br N7 O9
• Calculated formula: C27 H28 Br N7 O9
• SMILES: [Br-].O=C(NCC[NH+](CCNC(=O)c1cc(N(=O)=O)ccc1)CCNC(=O)c1cccc(N(=O)=O)c1)c1cc(N(=O)=O)ccc1
• 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: 8.603 ± 0.0008 Å
• b: 11.3256 ± 0.0011 Å
• c: 15.627 ± 0.0015 Å
• α: 69.932 ± 0.001°
• β: 83.523 ± 0.002°
• γ: 76.401 ± 0.002°
• Cell volume: 1389.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0569
• Residual factor for significantly intense reflections: 0.0435
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1265
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No