Information card for entry 2215350

Structure parameters

• Common name: Bis[(pyridine-κN)-di-3-(4-carboxylatophenoxy)propionato-κO]-cobalt(II)
• Chemical name: Bis[3-(4-carboxyphenoxy)propionato-κ<i>O</i>]bis[3- (4-carboxyphenoxy)propionic acid-κ<i>O</i>]bis(pyridine-κ<i>N</i>)cobalt(II)
• Formula: C50 H48 Co N2 O20
• Calculated formula: C50 H48 Co N2 O20
• SMILES: C(CCOc1ccc(cc1)C(=O)O)(=[O][Co]([n]1ccccc1)(OC(=O)CCOc1ccc(cc1)C(=O)O)([n]1ccccc1)(OC(=O)CCOc1ccc(cc1)C(=O)O)[O]=C(CCOc1ccc(cc1)C(=O)O)O)O
• Title of publication: Bis[3-(4-carboxyphenoxy)propionato-κ<i>O</i>]bis[3-(4-carboxyphenoxy)propionic acid-κ<i>O</i>]bis(pyridine-κ<i>N</i>)cobalt(II)
• Authors of publication: Li-Li Kong; Shan Gao; Li-Hua Huo
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2554 - m2554
• a: 8.2621 ± 0.0017 Å
• b: 8.7358 ± 0.0017 Å
• c: 17.502 ± 0.004 Å
• α: 76.58 ± 0.03°
• β: 76.53 ± 0.03°
• γ: 78.94 ± 0.03°
• Cell volume: 1182.2 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.1307
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes