Information card for entry 7022272

Structure parameters

• Formula: C28 H50 Cl4 Co2 N14 O6
• Calculated formula: C28 H50 Cl4 Co2 N14 O6
• SMILES: c1cc[n]2n1C[N]13CCn4[n](ccc4)[Co]421([n]1cccn1CC3)[Cl][Co]123([N](Cn5ccc[n]15)(CCn1ccc[n]21)CCn1[n]3ccc1)[Cl]4.O.O.O.[Cl-].O.O.O.[Cl-]
• Title of publication: Low symmetry pyrazole-based tripodal tetraamine ligands: metal complexes and ligand decomposition reactions.
• Authors of publication: Cubanski, John R.; Cameron, Scott A.; Crowley, James D.; Blackman, Allan G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 6
• Pages of publication: 2174 - 2185
• a: 8.9001 ± 0.0019 Å
• b: 27.533 ± 0.006 Å
• c: 9.309 ± 0.002 Å
• α: 90°
• β: 115.746 ± 0.006°
• γ: 90°
• Cell volume: 2054.7 ± 0.8 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 6
• 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: 0.096
• Residual factor for significantly intense reflections: 0.0803
• Weighted residual factors for significantly intense reflections: 0.2055
• Weighted residual factors for all reflections included in the refinement: 0.2174
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No