Information card for entry 7037678

Structure parameters

• Formula: C52 H36 Co2 N4 O6
• Calculated formula: C52 H36 Co2 N4 O6
• SMILES: [Co]123[N](=Cc4c(O1)cccc4)c1ccc(cc1)Oc1ccc([N]4[Co]5(Oc6c(C=[N]5c5ccc(Oc7ccc([N]2=Cc2c(O3)cccc2)cc7)cc5)cccc6)Oc2c(C=4)cccc2)cc1
• Title of publication: Phenolate based metallomacrocyclic xanthate complexes of Co(II)/Cu(II) and their exclusive deployment in [2 : 2] binuclear N,O-Schiff base macrocycle formation and in vitro anticancer studies.
• Authors of publication: Singh, Vinay K.; Kadu, Rahul; Roy, Hetal; Raghavaiah, Pallepogu; Mobin, Shaikh M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 4
• Pages of publication: 1443 - 1454
• a: 26.3438 ± 0.0006 Å
• b: 12.3067 ± 0.0003 Å
• c: 28.9628 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9389.9 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0593
• Weighted residual factors for significantly intense reflections: 0.1861
• Weighted residual factors for all reflections included in the refinement: 0.2087
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No