Information card for entry 2010661

Structure parameters

• Chemical name: bis(ethylenediamine)pyrimidinyl-2-carboxylato Co(3+) trifluoromethanesulfonate dihydrate
• Formula: C11 H23 Co F6 N6 O10 S2
• Calculated formula: C11 H23 Co F6 N6 O10 S2
• SMILES: [Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[n]1cccnc1C(=O)O3.S(=O)(=O)([O-])C(F)(F)F.S(=O)(=O)([O-])C(F)(F)F.O.O
• Title of publication: Bis(ethylenediamine-<i>N</i>,<i>N</i>')(pyrimidine-2-carboxylato-<i>N</i>^1^,<i>O</i>)cobalt(III) bis(trifluoromethanesulfonate) dihydrate
• Authors of publication: Antolić, Snježana; Kojić-Prodić, Biserka; Lovrić, Jasna
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 2
• Pages of publication: e51 - e52
• a: 6.4976 ± 0.0004 Å
• b: 12.729 ± 0.001 Å
• c: 14.741 ± 0.001 Å
• α: 73.4 ± 0.01°
• β: 81.98 ± 0.01°
• γ: 74.61 ± 0.01°
• Cell volume: 1123.81 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0815
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.0989
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes