Information card for entry 7013785

Structure parameters

• Common name: Cobalt(iii) tris(2,2'-bipyridine-4,4'-dicarboxylic acid) hexahydrate
• Formula: C36 H33 Co N6 O18
• Calculated formula: C36 H33 Co N6 O18
• SMILES: [Co]123([n]4ccc(cc4c4[n]1ccc(c4)C(=O)O)C(=O)[O-])([n]1ccc(cc1c1[n]2ccc(c1)C(=O)[O-])C(=O)[O-])[n]1ccc(cc1c1[n]3ccc(c1)C(=O)O)C(=O)O.O.O.O.O.O.O
• Title of publication: Crystal structures of dicarboxy-2,2'-bipyridyl complexes: the role of hydrogen bonding and stacking interactions.
• Authors of publication: Matthews, Craig J.; Elsegood, Mark R. J.; Bernardinelli, Gérald; Clegg, William; Williams, Alan F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 3
• Pages of publication: 492 - 497
• a: 9.8979 ± 0.0008 Å
• b: 18.215 ± 0.0014 Å
• c: 20.7718 ± 0.0016 Å
• α: 90°
• β: 99.149 ± 0.002°
• γ: 90°
• Cell volume: 3697.3 ± 0.5 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0732
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.0801
• Weighted residual factors for all reflections included in the refinement: 0.0909
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No