Information card for entry 2009839

Structure parameters

• Chemical name: nitrilotriacetic acid
• Formula: C6 H9 N O6
• Calculated formula: C6 H9 N O6
• Title of publication: Nitrilotriacetic acid, C~6~H~9~NO~6~
• Authors of publication: Skrzypczak-Jankun, E.; Smith, Douglas A.; Maluszynska, H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1097 - 1099
• a: 7.961 ± 0.002 Å
• b: 18.56 ± 0.003 Å
• c: 6.501 ± 0.001 Å
• α: 90°
• β: 127.47 ± 0.03°
• γ: 90°
• Cell volume: 762.4 ± 0.4 ų
• Cell temperature: 294 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.033
• Goodness-of-fit parameter for significantly intense reflections: 1.88
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No