Information card for entry 7055138

Structure parameters

• Formula: C26 H22 Co N10 Na O6 S4
• Calculated formula: C26 H22 Co N10 Na O6 S4
• SMILES: c12[n]3[Co]45(N(C1=O)C1=NCCS1)(N(C(c3ccc2)=O)C1=NCCS1)N(C(c1cccc(C(N5C2=NCCS2)=O)[n]41)=O)C1=NCCS1.O.[Na+].O
• Title of publication: Heterometallic coordination polymers: syntheses, structures and heterogeneous catalytic applications
• Authors of publication: Bansal, Deepak; Pandey, Saurabh; Hundal, Geeta; Gupta, Rajeev
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 12
• Pages of publication: 9772
• a: 9.7473 ± 0.0009 Å
• b: 17.3697 ± 0.0015 Å
• c: 18.2266 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3085.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.1101
• Residual factor for significantly intense reflections: 0.0657
• Weighted residual factors for significantly intense reflections: 0.1129
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 1.082
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No