Information card for entry 7201617

Structure parameters

• Formula: C30 H30 Co N6 O12
• Calculated formula: C30 H30 Co N6 O12
• SMILES: c1cc(cc[n]1[Co]([OH2])([OH2])([n]1ccc(cc1)Nc1cc[nH+]cc1)([OH2])[OH2])Nc1cc[nH+]cc1.[O-]C(=O)c1c(cc(c(c1)C(=O)[O-])C(=O)[O-])C(=O)[O-]
• Title of publication: Hydrothermal synthesis of divalent metal pyromellitate/dipyridylamine complexes: From an unprecedented supramolecular three-dimensional topology to an anionic coordination polymer framework with large incipient cation-bearing voids
• Authors of publication: Braverman, Maxwell A.; LaDuca, Robert L.
• Journal of publication: CrystEngComm
• Year of publication: 2008
• Journal volume: 10
• Journal issue: 1
• Pages of publication: 117
• a: 7.268 ± 0.003 Å
• b: 20.93 ± 0.008 Å
• c: 10.365 ± 0.004 Å
• α: 90°
• β: 108.032 ± 0.005°
• γ: 90°
• Cell volume: 1499.3 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0347
• Weighted residual factors for significantly intense reflections: 0.0832
• Weighted residual factors for all reflections included in the refinement: 0.0863
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No