Information card for entry 7018502

Structure parameters

• Formula: C29 H40 Co N12 O3
• Calculated formula: C29 H40 Co N12 O3
• SMILES: [Co]123([N](Cc4[n]1cccc4)(Cc1[n]2c(NC(=O)C(C)(C)C)ccc1)Cc1[n]3c(NC(=O)C(C)(C)C)ccc1)(N=N#N)N=N#N.OC
• Title of publication: Synthesis and characterization of cobalt(ii) complexes with tripodal polypyridine ligand bearing pivalamide groups. Selective formation of six- and seven-coordinate cobalt(ii) complexes.
• Authors of publication: Matsumoto, Jun; Suzuki, Tatsuya; Kajita, Yuji; Masuda, Hideki
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 14
• Pages of publication: 4107 - 4117
• a: 9.9315 ± 0.0015 Å
• b: 10.0025 ± 0.0015 Å
• c: 31.837 ± 0.005 Å
• α: 90°
• β: 95.909 ± 0.0017°
• γ: 90°
• Cell volume: 3145.9 ± 0.8 ų
• Cell temperature: 173.1 K
• Ambient diffraction temperature: 173 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 significantly intense reflections: 0.0507
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No