Information card for entry 7020608

Structure parameters

• Formula: C42 H30 Cr2 N6 O15
• Calculated formula: C42 H30 Cr2 N6 O15
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Cr]124(OC(=O)C(=O)O2)[n]2cccc3ccc4ccc[n]1c4c23.[n]12cccc3ccc4ccc[n]([Cr]562(OC(=O)C(=O)O5)OC(=O)C(=O)O6)c4c13.O.O.O
• Title of publication: Supramolecular architectures of novel chromium(iii) oxalate complexes: steric effects of the ligand size and building-blocks approach.
• Authors of publication: Androš, Lidija; Jurić, Marijana; Molčanov, Krešimir; Planinić, Pavica
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 48
• Pages of publication: 14611 - 14624
• a: 13.7894 ± 0.0002 Å
• b: 13.7894 ± 0.0002 Å
• c: 36.2999 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5977.6 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 3 K
• Number of distinct elements: 5
• Space group number: 180
• Hermann-Mauguin space group symbol: P 62 2 2
• Hall space group symbol: P 62 2 (0 0 4)
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54179 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No