Information card for entry 4505069

Structure parameters

• Formula: C28 H28 Ba Cr2 N4 O22
• Calculated formula: C28 H16 Ba Cr2 N4 O22
• SMILES: c1cc[n]2[Cr]34(OC(=O)C(=O)O3)(OC(=O)C(=O)O4)[n]3ccccc3c2c1.O.[Ba+2].O.O.c1cccc2c3cccc[n]3[Cr]34([n]12)(OC(=O)C(=O)O3)OC(=O)C(=O)O4.O.O.O
• Title of publication: Heteropolymetallic Supramolecular Solid-State Architectures Constructed from [Cr(AA)(C2O4)2]-Tectons, and Sustained by Coordinative, Hydrogen Bond and π−π Stacking Interactions (AA = 2,2‘-Bipyridine; 1,10-Phenanthroline)
• Authors of publication: Marinescu, Gabriela; Andruh, Marius; Julve, Miguel; Lloret, Francesc; Llusar, Rosa; Uriel, Santiago; Vaissermann, Jacqueline
• Journal of publication: Crystal Growth & Design
• Year of publication: 2005
• Journal volume: 5
• Journal issue: 1
• Pages of publication: 261
• a: 11.7633 ± 0.0019 Å
• b: 9.5108 ± 0.0015 Å
• c: 16.581 ± 0.003 Å
• α: 90°
• β: 92.208 ± 0.004°
• γ: 90°
• Cell volume: 1853.7 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0585
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.955
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No