Information card for entry 2231403

Structure parameters

• Chemical name: Bis(<i>N</i>,<i>N</i>'-dimethylethylenediammonium) tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobaltate(II) dihydrate
• Formula: C14 H32 Co N4 O14
• Calculated formula: C14 H32 Co N4 O14
• SMILES: [Co]123(OC(=O)C(=O)O1)(OC(=O)C(=O)O2)OC(=O)C(=O)O3.C[NH2+]CC[NH2+]C.O.O.[NH2+](CC[NH2+]C)C
• Title of publication: Bis(<i>N</i>,<i>N</i>'-dimethylethylenediammonium) tris(oxalato-κ^2^<i>O</i>^1^,<i>O</i>^2^)cobaltate(II) dihydrate: an ion-pair complex
• Authors of publication: Gaye, Papa Aly; Sy, Adama; Thiam, Ibrahima Elhadj; Gaye, Mohamed; Retailleau, Pascal
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1269
• a: 12.625 ± 0.003 Å
• b: 13.411 ± 0.004 Å
• c: 16.996 ± 0.002 Å
• α: 90°
• β: 125.91 ± 0.02°
• γ: 90°
• Cell volume: 2330.7 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0627
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1222
• Weighted residual factors for all reflections included in the refinement: 0.1329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes