Information card for entry 4505341

Structure parameters

• Formula: C18 H42 Co3 O30
• Calculated formula: C18 H42 Co3 O30
• SMILES: [OH2][Co](OC(=O)c1cc(C(=O)O[Co]([OH2])([OH2])([OH2])([OH2])[OH2])cc(C(=O)[O-])c1)(OC(=O)c1cc(C(=O)O[Co]([OH2])([OH2])([OH2])([OH2])[OH2])cc(C(=O)[O-])c1)([OH2])([OH2])[OH2].O.O.O.O
• Title of publication: Structural Variability of Cobalt(II) Coordination Polymers: Three Polymorphs of Co3(TMA)2[TMA = Trimesate, C6H3(COO)33-]
• Authors of publication: Cheng, Deping; Khan, Masood A.; Houser, Robert P.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2004
• Journal volume: 4
• Journal issue: 3
• Pages of publication: 599
• a: 6.6542 ± 0.0005 Å
• b: 10.7114 ± 0.0007 Å
• c: 12.3565 ± 0.0007 Å
• α: 99.008 ± 0.004°
• β: 102.553 ± 0.006°
• γ: 107.344 ± 0.007°
• Cell volume: 797.08 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0386
• Residual factor for significantly intense reflections: 0.03
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0794
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No