Information card for entry 2200258

Structure parameters

• Formula: C32 H28 Ba Cr2 N4 O22
• Calculated formula: C32 H28 Ba Cr2 N4 O22
• SMILES: O.O.O.[Ba+2].O=C1C(=O)O[Cr]23([n]4cccc5ccc6ccc[n]2c6c45)(OC(=O)C(=O)O3)O1.[O]=C1C(=O)O[Cr]23([n]4cccc5ccc6ccc[n]2c6c45)(OC(=O)C(=O)O3)O1.O.O.O
• Title of publication: Infinite chain of [Ba{Cr(ox)~2~(phen)}~2~]~<i>n~</i>
• Authors of publication: Larsson, Krister
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 5
• Pages of publication: m195 - m197
• a: 26.1127 ± 0.0018 Å
• b: 10.1535 ± 0.0006 Å
• c: 14.6165 ± 0.0009 Å
• α: 90°
• β: 92.367 ± 0.007°
• γ: 90°
• Cell volume: 3872 ± 0.4 ų
• Cell temperature: 293 ± 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 significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.1254
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes