Information card for entry 7201501

Structure parameters

• Formula: C48 H40 Co N6 O10
• Calculated formula: C48 H40 Co N6 O10
• SMILES: c1cc(cc[n]1[Co](OC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-])([n]1ccc(cc1)Nc1cc[nH+]cc1)OC(=O)c1ccc(cc1)c1ccc(cc1)C(=O)[O-])Nc1cc[nH+]cc1.O.O
• Title of publication: Five-fold interpenetrated strongly hydrogen bonded rhomboid grid layers constructed from the aggregation of neutral coordination complexes with long pendant aromatic dicarboxylate and organodiimine ligands
• Authors of publication: Montney, Matthew R.; Supkowski, Ronald M.; LaDuca, Robert L.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 111
• a: 24.89 ± 0.02 Å
• b: 8.368 ± 0.008 Å
• c: 22.23 ± 0.02 Å
• α: 90°
• β: 115.566 ± 0.016°
• γ: 90°
• Cell volume: 4177 ± 6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.125
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.1175
• Weighted residual factors for all reflections included in the refinement: 0.1389
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No