Information card for entry 7056134

Structure parameters

• Formula: C17 H15 Mo N3 O4
• Calculated formula: C17 H15 Mo N3 O4
• Title of publication: New polymeric, dimeric and mononuclear dioxidomolybdenum(vi) complexes with an ONO donor ligand: crystal structures, DFT calculations, catalytic performance and protein binding study of the ligand
• Authors of publication: Biswal, Debanjana; Pramanik, Nikhil Ranjan; Chakrabarti, Syamal; Drew, Michael G. B.; Sarkar, Bithika; Maurya, Mannar R.; Mukherjee, Sanjib K.; Chowdhury, Pramit
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 10
• Pages of publication: 4116 - 4137
• a: 11.092 ± 0.004 Å
• b: 8.109 ± 0.003 Å
• c: 18.807 ± 0.006 Å
• α: 90°
• β: 105.213 ± 0.016°
• γ: 90°
• Cell volume: 1632.3 ± 1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.2021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No