Information card for entry 7060000

Structure parameters

• Formula: C44 H36 Br2 Mo2 N8 O6 S4
• Calculated formula: C44 H36 Br2 Mo2 N8 O6 S4
• Title of publication: The vital role of ditopic N‒N bridging ligands with different lengths in the formation of new binuclear dioxomolybdenum(vi) complexes: synthesis, crystal structures, supramolecular framework and protein binding studies
• Authors of publication: Biswal, Debanjana; Roy, Malini; Pramanik, Nikhil Ranjan; Paul, Suvendu; Drew, Michael G. B.; Chakrabarti, Syamal
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 38
• Pages of publication: 16645 - 16664
• a: 7.845 ± 0.006 Å
• b: 10.096 ± 0.008 Å
• c: 15.635 ± 0.012 Å
• α: 80.063 ± 0.008°
• β: 84.016 ± 0.008°
• γ: 76.674 ± 0.009°
• Cell volume: 1184.2 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0499
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for significantly intense reflections: 0.0804
• Weighted residual factors for all reflections included in the refinement: 0.0872
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No