Information card for entry 7028416

Structure parameters

• Formula: C16 H16 Mo N2 O6
• Calculated formula: C16 H16 Mo N2 O6
• SMILES: C1(Cc2ccccc2)=[O][Mo]2(=O)(ON1)(=O)[O]=C(Cc1ccccc1)NO2
• 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: 17.4688 ± 0.0004 Å
• b: 10.5106 ± 0.0004 Å
• c: 9.46 ± 0.0002 Å
• α: 90°
• β: 103.987 ± 0.002°
• γ: 90°
• Cell volume: 1685.43 ± 0.08 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: 0.0218
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0535
• Weighted residual factors for all reflections included in the refinement: 0.0544
• Goodness-of-fit parameter for all reflections included in the refinement: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No