Information card for entry 7037677

Structure parameters

• Formula: C68 H44 Co2 N4 O6
• Calculated formula: C68 H44 Co2 N4 O6
• SMILES: c12ccc(cc1)Oc1ccc(cc1)[N]1=Cc3c4ccccc4ccc3O[Co]31[N](c1ccc(cc1)Oc1ccc(cc1)[N]1=Cc4c5ccccc5ccc4O[Co]41[N]2=Cc1c2ccccc2ccc1O4)=Cc1c2ccccc2ccc1O3
• 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: 11.84 ± 0.003 Å
• b: 12.679 ± 0.003 Å
• c: 37.68 ± 0.008 Å
• α: 90°
• β: 95.358 ± 0.004°
• γ: 90°
• Cell volume: 5632 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1333
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 0.861
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No