Information card for entry 4509451

Structure parameters

• Chemical name: trisbiimdazolecobalt(III) trisoxalatocobaltate(III) dihydrate
• Formula: C24 H22 Co2 N12 O14
• Calculated formula: C24 H18 Co2 N12 O14
• SMILES: c12[n](cc[nH]1)[Co]13([n]4cc[nH]c4c4[n]1cc[nH]4)([n]1c2[nH]cc1)[n]1cc[nH]c1c1[n]3cc[nH]1.O1C(=O)C(=O)O[Co]231(OC(=O)C(=O)O3)OC(=O)C(=O)O2.O.O
• Title of publication: Oxalate- and Squarate-Biimidazole Supramolecular Synthons: Hydrogen-Bonded Networks Based on [Co(H2biimidazole)3]3+
• Authors of publication: Borel, Cédric; Larsson, Krister; Håkansson, Mikael; Olsson, Björn E.; Bond, Andrew D.; Öhrström, Lars
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 6
• Pages of publication: 2821
• a: 12.004 ± 0.003 Å
• b: 18.28 ± 0.005 Å
• c: 13.625 ± 0.003 Å
• α: 90°
• β: 96.839 ± 0.008°
• γ: 90°
• Cell volume: 2968.5 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0723
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1407
• Weighted residual factors for all reflections included in the refinement: 0.1437
• Goodness-of-fit parameter for all reflections included in the refinement: 1.186
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No