Information card for entry 7207030

Structure parameters

• Common name: di-(tris-(ethylenediamine-N,N')-cobalt(iii)) tris-oxalate. 3.61 H2O
• Chemical name: di-[tris-(ethylenediamine-N,N')-cobalt(III)] tris- oxalate. 3.61 H2O
• Formula: C9 H27.61 Co N6 O7.805
• Calculated formula: C9 H24 Co N6 O7.804
• Title of publication: Recurrent H-bond graph motifs between metal tris-ethylenediamine cations and uncoordinated oxalate anions: Fitting a three pin plug into a two pin socket
• Authors of publication: Keene, Tony D.; Hursthouse, Michael B.; Price, Daniel J.
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 1
• Pages of publication: 116
• a: 7.4525 ± 0.0019 Å
• b: 8.971 ± 0.002 Å
• c: 13.349 ± 0.004 Å
• α: 71.49 ± 0.02°
• β: 89.61 ± 0.02°
• γ: 82.827 ± 0.018°
• Cell volume: 839.2 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0896
• Residual factor for significantly intense reflections: 0.0789
• Weighted residual factors for significantly intense reflections: 0.2028
• Weighted residual factors for all reflections included in the refinement: 0.2147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No