Information card for entry 4507498

Structure parameters

• Formula: C44 H34 Co N8 O14
• Calculated formula: C44 H34 Co N8 O14
• SMILES: c1c2c(C=[N]3[Co]45(O2)([O]=C(c2ccccc2)N3)[N](=Cc2cc(ccc2O4)/C=N/NC(=O)c2ccccc2)NC(c2ccccc2)=[O]5)cc(c1)/C=N/NC(=O)c1ccccc1.O.O.O.O.O.O.O.O
• Title of publication: Solid-State Coordinative Behavior of a New Asymmetrical Bis-hydrazone Ligand Containing Two Different Binding Pockets
• Authors of publication: Rodríguez-Hermida, Sabina; Lago, Ana B.; Cañadillas-Delgado, Laura; Carballo, Rosa; Vázquez-López, Ezequiel M.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2013
• Journal volume: 13
• Journal issue: 3
• Pages of publication: 1193
• a: 16.211 ± 0.003 Å
• b: 21.047 ± 0.004 Å
• c: 16.576 ± 0.004 Å
• α: 90°
• β: 107.906 ± 0.005°
• γ: 90°
• Cell volume: 5381.7 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.1662
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1713
• Weighted residual factors for all reflections included in the refinement: 0.2037
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No