Information card for entry 2227212

Structure parameters

• Chemical name: Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) carbonate iodide tetrahydrate
• Formula: C7 H32 Co I N6 O7
• Calculated formula: C7 H32 Co I N6 O7
• SMILES: [Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.[O-]C(=O)[O-].O.O.O.O.[I-]
• Title of publication: Tris(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')cobalt(III) carbonate iodide tetrahydrate
• Authors of publication: Brewer, Greg; Butcher, Ray J.; Jasinski, Jerry P.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1148 - m1149
• a: 16.6907 ± 0.0002 Å
• b: 8.7031 ± 0.0001 Å
• c: 12.5718 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1826.19 ± 0.04 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0326
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0481
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes