Information card for entry 7705240

Structure parameters

• Formula: C19 H17 Cl2 Co N5 O2
• Calculated formula: C19 H17 Cl2 Co N5 O2
• SMILES: [Co]12(Cl)(Cl)O/C(=N\c3[n+](cccc3)C)c3[n]2c(C(=N\c2[n+](cccc2)C)/O1)ccc3
• Title of publication: Ambidentate bonding and electrochemical implications of pincer-type pyridylidene amide ligands in complexes of nickel, cobalt and zinc.
• Authors of publication: Melle, Philipp; Ségaud, Nathalie; Albrecht, Martin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 36
• Pages of publication: 12662 - 12673
• a: 7.9978 ± 0.0002 Å
• b: 9.273 ± 0.0002 Å
• c: 14.4181 ± 0.0004 Å
• α: 102.016 ± 0.002°
• β: 99.28 ± 0.002°
• γ: 104.188 ± 0.002°
• Cell volume: 988.23 ± 0.05 ų
• Cell temperature: 173 ± 0.1 K
• Ambient diffraction temperature: 173 ± 0.1 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: 0.0486
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0707
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No