Information card for entry 7018499

Structure parameters

• Formula: C34 H45 Co I2 N9 O2
• Calculated formula: C34 H45 Co I2 N9 O2
• SMILES: [I-].[I-].[Co]12345([O]=C(Nc6[n]4c(C[N]2(Cc2[n]3cccc2)Cc2[n]5c(NC(=[O]1)C(C)(C)C)ccc2)ccc6)C(C)(C)C)[N]#CC.N#CC.N#CC
• 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: 14.3245 ± 0.0016 Å
• b: 14.4477 ± 0.0015 Å
• c: 19.422 ± 0.003 Å
• α: 90°
• β: 105.062 ± 0.0011°
• γ: 90°
• Cell volume: 3881.4 ± 0.8 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.0906
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No