Information card for entry 7002356

Structure parameters

• Formula: C9 H11 N3 O4
• Calculated formula: C9 H11 N3 O4
• SMILES: [O-]c1ccc(N(=O)=O)cc1C(=O)NCC[NH3+]
• Title of publication: Unusual metal coordination chemistry from an amino-amide derivative of 4-nitrophenol, a surprising ligand
• Authors of publication: McGinley, John; McKee, Vickie; Toftlund, Hans; Walsh, John M. D.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 39
• Pages of publication: 8406 - 8412
• a: 15.5904 ± 0.0013 Å
• b: 9.6611 ± 0.0008 Å
• c: 13.7196 ± 0.0011 Å
• α: 90°
• β: 112.55 ± 0.001°
• γ: 90°
• Cell volume: 1908.5 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1204
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No