Information card for entry 2013355

Structure parameters

• Common name: (N-carboxylatomethylaspartato)(ethylenediamine) cobalt(III) complex
• Chemical name: [N-(Carboxylatomethyl)aspartato(3-)](ethylenediamine)cobalt(III) trihydrate
• Formula: C8 H20 Co N3 O9
• Calculated formula: C8 H20 Co N3 O9
• SMILES: [Co]1234(OC(=O)C(CC(=O)O1)[NH]3CC(=O)O2)[NH2]CC[NH2]4.O.O.O
• Title of publication: [<i>N</i>-(Carboxylatomethyl)aspartato(3‒)](ethylenediamine)cobalt(III) trihydrate
• Authors of publication: Maderová, Jana; Marek, Jaromír; Pavelčík, František
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 5
• Pages of publication: m178 - m180
• a: 11.6265 ± 0.0013 Å
• b: 14.5467 ± 0.0009 Å
• c: 10.0565 ± 0.0011 Å
• α: 90°
• β: 122.475 ± 0.015°
• γ: 90°
• Cell volume: 1434.9 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0573
• Weighted residual factors for all reflections included in the refinement: 0.0574
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes