Information card for entry 2229951

Structure parameters

• Chemical name: Tris(ethylenediamine)cobalt(III) diformatodioxalatoindate(III) dihydrate
• Formula: C12 H30 Co In N6 O14
• Calculated formula: C12 H30 Co In N6 O14
• SMILES: [In]12(OC(=O)C(O1)=O)(OC(=O)C(=O)O2)(OC=O)OC=O.[Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[OH2].O
• Title of publication: Tris(ethylenediamine)cobalt(III) diformatodioxalatoindate(III) dihydrate
• Authors of publication: Tong, Juying; Pan, Qinhe
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 5
• Pages of publication: m579 - m580
• a: 8.2048 ± 0.0016 Å
• b: 12.016 ± 0.002 Å
• c: 12.052 ± 0.002 Å
• α: 79.09 ± 0.03°
• β: 81.45 ± 0.03°
• γ: 88.43 ± 0.03°
• Cell volume: 1153.8 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0834
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1682
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes