Information card for entry 2011017

Structure parameters

• Common name: [Co(en)~3~](C~2~O~4~)(ClO~4~)(H~2~O)~2~
• Chemical name: Tris(ethylenediamine) cobalt (III) oxalato perchlorate dihydrate
• Formula: C8 H28 Cl Co N6 O10
• Calculated formula: C8 H28 Cl Co N6 O10
• SMILES: [Co]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.C(=O)(C(=O)[O-])[O-].Cl(=O)(=O)(=O)[O-].O.O
• Title of publication: Tris(ethylenediamine-<i>N</i>,<i>N</i>')cobalt(III) oxalate perchlorate dihydrate
• Authors of publication: Cai, Jiwen; Zhang, Yufei; Hu, Xiaopeng; Feng, Xiaolong
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2000
• Journal volume: 56
• Journal issue: 6
• Pages of publication: 661 - 663
• a: 12.5502 ± 0.0007 Å
• b: 9.5832 ± 0.0005 Å
• c: 15.395 ± 0.0008 Å
• α: 90°
• β: 95.734 ± 0.001°
• γ: 90°
• Cell volume: 1842.31 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes