Information card for entry 4509453

Structure parameters

• Chemical name: trisbiimdazolecobalt(III)tris(3-hydroxycyclobut-3-ene-1,2-dion-4-olate)hydrate
• Formula: C30 H25 Co N12 O14
• Calculated formula: C30 H25 Co N12 O14
• SMILES: [Co]123([n]4cc[nH]c4c4[n]1cc[nH]4)([n]1cc[nH]c1c1[nH]cc[n]21)[n]1cc[nH]c1c1[n]3cc[nH]1.O=C1C(O)=C([O-])C1=O.O=C1C(=O)C(O)=C1[O-].O=C1C(=O)C(O)=C1[O-].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: 10.1255 ± 0.0009 Å
• b: 13.9169 ± 0.0005 Å
• c: 14.6328 ± 0.0005 Å
• α: 118.386 ± 0.001°
• β: 100.462 ± 0.001°
• γ: 99.392 ± 0.001°
• Cell volume: 1708.1 ± 0.18 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0372
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0871
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No