Information card for entry 7028417

Structure parameters

• Formula: C16 H16 N2 O6 W
• Calculated formula: C16 H16 N2 O6 W
• SMILES: C1(NO[W]2([O]=1)(=O)(=O)[O]=C(Cc1ccccc1)NO2)Cc1ccccc1
• Title of publication: Synthesis and structural characterization of dioxomolybdenum and dioxotungsten hydroxamato complexes and their function in the protection of radiation induced DNA damage.
• Authors of publication: Paul, Shiv Shankar; Selim, Md; Saha, Abhijit; Mukherjea, Kalyan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 7
• Pages of publication: 2835 - 2848
• a: 17.4365 ± 0.0016 Å
• b: 10.5304 ± 0.0016 Å
• c: 9.4876 ± 0.001 Å
• α: 90°
• β: 104.276 ± 0.002°
• γ: 90°
• Cell volume: 1688.3 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0182
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0446
• Weighted residual factors for all reflections included in the refinement: 0.045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No