Information card for entry 2207141

Structure parameters

• Chemical name: catena-poly[[diaquacobalt(II)]-μ- {μ-mellitato-κ^2^O^1^:O^4^-bis[pentaaquacobalt(II)]}- κ^4^O^2^,O^3^:O^5^,O^6^] hexahydrate]
• Formula: C12 H36 Co3 O30
• Calculated formula: C12 H36 Co3 O30
• SMILES: [Co]12([OH2])([OH2])(OC(=O)c3c(C(=O)O1)c(C(=O)O[Co]([OH2])([OH2])([OH2])([OH2])[OH2])c1C(=O)O[Co]([OH2])([OH2])OC(=O)c1c3C(=O)O[Co]([OH2])([OH2])([OH2])([OH2])[OH2])OC(=O)c1c(C(=O)O2)c(C(=O)O[Co]([OH2])([OH2])([OH2])([OH2])[OH2])c(C(=O)[O-])c(C(=O)[O-])c1C(=O)O[Co]([OH2])([OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: A triclinic polymorph of <i>catena</i>-poly[[diaquacobalt(II)]-μ-{μ-mellitato-κ^2^<i>O</i>^1^:<i>O</i>^4^-bis[pentaaquacobalt(II)]}-κ^4^<i>O</i>^2^,<i>O</i>^3^:<i>O</i>^5^,<i>O</i>^6^] hexahydrate]
• Authors of publication: Ji-Chun Cui
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 11
• Pages of publication: m2209 - m2211
• a: 8.491 ± 0.0017 Å
• b: 9.655 ± 0.0019 Å
• c: 10.812 ± 0.002 Å
• α: 70.66 ± 0.03°
• β: 67.36 ± 0.03°
• γ: 72.18 ± 0.03°
• Cell volume: 755.5 ± 0.3 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0802
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No