Information card for entry 4512526

Structure parameters

• Formula: C32 H32 Cl2 Co2 N14 O2
• Calculated formula: C32 H32 Cl2 Co2 N14 O2
• SMILES: CC#N.c1nc(c2c3[n]1[Co]14([O](c5c(C=[N]1CCn3cn2)cccc5)[Co]12(Cl)[n]3cnc(c5c3n(cn5)CC[N]2=Cc2c([O]41)cccc2)N)Cl)N.CC#N
• Title of publication: Imine Component Based Modified Adenine Nucleobase‒Metal Frameworks
• Authors of publication: Pratibha,; Verma, Sandeep
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 1
• Pages of publication: 510
• a: 9.232 ± 0.005 Å
• b: 9.681 ± 0.005 Å
• c: 11.456 ± 0.005 Å
• α: 98.481 ± 0.005°
• β: 109.051 ± 0.004°
• γ: 111.718 ± 0.003°
• Cell volume: 856.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0718
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1017
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No