Information card for entry 7055092

Structure parameters

• Formula: C42 H32 Cl6 Mo2 N10 O10 S4
• Calculated formula: C42 H32 Cl6 Mo2 N10 O10 S4
• Title of publication: Supramolecular frameworks of binuclear dioxomolybdenum(vi) complexes with ONS donor ligands using 4,4′-azopyridine as a pillar: crystal structure, DFT calculations and biological study
• Authors of publication: Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Mitra, Payel; Acharya, Krishnendu; Biswas, Sujan; Mondal, Tapan Kumar
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 11
• Pages of publication: 8681
• a: 10.9255 ± 0.0007 Å
• b: 10.9637 ± 0.0007 Å
• c: 13.2353 ± 0.0008 Å
• α: 67.269 ± 0.006°
• β: 69.255 ± 0.005°
• γ: 67.937 ± 0.006°
• Cell volume: 1314 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0822
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No