Information card for entry 7041094

Structure parameters

• Formula: C62 H48 Co2 N4 O4
• Calculated formula: C62 H48 Co2 N4 O4
• SMILES: c12ccc3ccccc3c2C=[N]2[Co]3([N](c4c(C)cc(c([N]5=Cc6c(ccc7ccccc67)O[Co]65[N](c5c(cc(C)c2c5C)C)=Cc2c(O6)ccc5ccccc25)c4C)C)=Cc2c(O3)ccc3ccccc23)O1
• Title of publication: Varying structural motifs in the salen based metal complexes of Co(ii), Ni(ii) and Cu(ii): synthesis, crystal structures, molecular dynamics and biological activities.
• Authors of publication: Saini, Anoop Kumar; Kumari, Pratibha; Sharma, Vinay; Mathur, Pradeep; Mobin, Shaikh M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 47
• Pages of publication: 19096 - 19108
• a: 8.1049 ± 0.0004 Å
• b: 12.9696 ± 0.0006 Å
• c: 14.2695 ± 0.0007 Å
• α: 68.12 ± 0.004°
• β: 81.619 ± 0.004°
• γ: 87.321 ± 0.004°
• Cell volume: 1377.01 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0899
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1865
• Weighted residual factors for all reflections included in the refinement: 0.2118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No