Information card for entry 4509452

Structure parameters

• Chemical name: trisbiimdazolecobalt(III) trisoxalatochromate(III) dihydrate
• Formula: C24 H22 Co Cr N12 O14
• Calculated formula: C24 H18 Co Cr N12 O14
• SMILES: C1(=O)O[Cr]23(OC(=O)C(=O)O3)(OC(=O)C(=O)O2)OC1=O.[Co]123([n]4c(c5[n]1cc[nH]5)[nH]cc4)([n]1c([nH]cc1)c1[n]3cc[nH]1)[n]1c(c3[n]2cc[nH]3)[nH]cc1.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: 12.0595 ± 0.0004 Å
• b: 18.4539 ± 0.0006 Å
• c: 13.5995 ± 0.0005 Å
• α: 90°
• β: 97.71 ± 0.001°
• γ: 90°
• Cell volume: 2999.14 ± 0.18 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0502
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.1133
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No