Information card for entry 7060001

Structure parameters

• Formula: C44 H34 Br2 Cl6 Mo2 N6 O6 S4
• Calculated formula: C44 H34 Br2 Cl6 Mo2 N6 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: 11.0645 ± 0.001 Å
• b: 11.1077 ± 0.0014 Å
• c: 13.1366 ± 0.0013 Å
• α: 69.636 ± 0.01°
• β: 65.582 ± 0.009°
• γ: 66.708 ± 0.01°
• Cell volume: 1317 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0695
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No