Information card for entry 4317982

Structure parameters

• Common name: [Co(bpca)~2~]ClO~4~^.^CH~3~OH
• Formula: C25 H20 Cl Co N6 O9
• Calculated formula: C25 H20 Cl Co N6 O9
• SMILES: [Co]1234([n]5ccccc5C(=O)N1C(=O)c1[n]2cccc1)[n]1ccccc1C(=O)N3C(=O)c1[n]4cccc1.Cl(=O)(=O)(=O)[O-].OC
• Title of publication: Unusual Reactivity of Methylene Group Adjacent to Pyridine-2-Carboxamido Moiety in Iron(III) and Cobalt(III) Complexes
• Authors of publication: John M. Rowland; Marilyn M. Olmstead; Pradip K. Mascharak
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 2754 - 2760
• a: 8.8361 ± 0.0009 Å
• b: 11.4944 ± 0.0012 Å
• c: 14.4695 ± 0.0014 Å
• α: 110.182 ± 0.004°
• β: 102.203 ± 0.007°
• γ: 101.096 ± 0.003°
• Cell volume: 1290.6 ± 0.2 ų
• Cell temperature: 91 ± 2 K
• Ambient diffraction temperature: 91 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.0991
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No