Information card for entry 2016329

Structure parameters

• Common name: tetraaqua-trans-bis(6-methylnicotinato-O)cobalt(II) tetrahydrate
• Chemical name: tetraaqua-trans-bis(6-methylpyridine-3-carboxylato-κO)cobalt(II) tetrahydrate
• Formula: C14 H28 Co N2 O12
• Calculated formula: C14 H28 Co N2 O12
• SMILES: O=C(c1cnc(cc1)C)O[Co]([OH2])([OH2])(OC(=O)c1cnc(cc1)C)([OH2])[OH2].O.O.O.O
• Title of publication: A new coordination mode of 6-methylnicotinic acid in <i>trans</i>-tetraaquabis(6-methylpyridine-3-carboxylato-κ<i>O</i>)cobalt(II) tetrahydrate
• Authors of publication: Kukovec, Boris-Marko; Popović, Zora; Pavlović, Gordana
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 12
• Pages of publication: m615 - m617
• a: 7.0284 ± 0.0002 Å
• b: 7.3655 ± 0.0002 Å
• c: 11.4912 ± 0.0004 Å
• α: 86.829 ± 0.002°
• β: 78.746 ± 0.003°
• γ: 65.357 ± 0.003°
• Cell volume: 530.07 ± 0.03 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0372
• Residual factor for significantly intense reflections: 0.0339
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.0892
• Goodness-of-fit parameter for all reflections included in the refinement: 1.117
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes