Information card for entry 7207031

Structure parameters

• Common name: di-(tris-(ethylenediamine-N,N')-cobalt(iii)) tris-oxalate. 3.5 H2O
• Chemical name: di-[tris-(ethylenediamine-N,N')-cobalt(III)] tris- oxalate. 3.5 H2O
• Formula: C18 H62 Co2 N12 O19
• Calculated formula: C18 H48 Co2 N12 O19
• 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: 28.964 ± 0.002 Å
• b: 10.3615 ± 0.0005 Å
• c: 12.7579 ± 0.0008 Å
• α: 90°
• β: 114.446 ± 0.002°
• γ: 90°
• Cell volume: 3485.5 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1132
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No