Information card for entry 7022273

Structure parameters

• Formula: C26 H36 Cl6 Co3 N14 O
• Calculated formula: C26 H36 Cl6 Co3 N14 O
• SMILES: C1[N]23[Co]([n]4n1ccc4)(Cl)([n]1cccn1CC2)[n]1n(C3)ccc1.O.Cl[Co](Cl)([Cl-])[Cl-].C1Cn2ccc[n]2[Co]23([N]1(Cn1ccc[n]21)Cn1[n]3ccc1)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: 30.936 ± 0.005 Å
• b: 8.5598 ± 0.0011 Å
• c: 13.9511 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3694.3 ± 0.9 ų
• Cell temperature: 89 ± 2 K
• Ambient diffraction temperature: 89 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0458
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0753
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No