Information card for entry 7037680

Structure parameters

• Formula: C54 H40 Cl4 Cu2 N4 O6
• Calculated formula: C54 H40 Cl4 Cu2 N4 O6
• SMILES: c12ccccc1C=[N]1[Cu]3(O2)Oc2ccccc2C=[N]3c2ccc(Oc3ccc([N]4=Cc5c(cccc5)O[Cu]54[N](=Cc4c(O5)cccc4)c4ccc(Oc5ccc1cc5)cc4)cc3)cc2.ClCCl.ClCCl
• 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: 16.5132 ± 0.0003 Å
• b: 14.6766 ± 0.0002 Å
• c: 19.217 ± 0.0003 Å
• α: 90°
• β: 96.189 ± 0.001°
• γ: 90°
• Cell volume: 4630.24 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0285
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0693
• Weighted residual factors for all reflections included in the refinement: 0.0702
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No