Information card for entry 7038063

Structure parameters

• Formula: C20 H18 N4 O6 Se2
• Calculated formula: C20 H18 N4 O6 Se2
• SMILES: O=C(c1c([Se][Se]c2ccc(cc2C(=O)NCC=C)N(=O)=O)ccc(c1)N(=O)=O)NCC=C
• Title of publication: Synthesis and structural characterization of monomeric mercury(ii) selenolate complexes derived from 2-phenylbenzamide ligands.
• Authors of publication: Patel, Saket; Meenakshi, ?; Hodage, Ananda S.; Verma, Ajay; Agrawal, Shailendra; Yadav, Abhimanyu; Kumar, Sangit
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 9
• Pages of publication: 4030 - 4040
• a: 22.461 ± 0.003 Å
• b: 4.8135 ± 0.0006 Å
• c: 21.823 ± 0.003 Å
• α: 90°
• β: 115.883 ± 0.003°
• γ: 90°
• Cell volume: 2122.7 ± 0.5 ų
• Cell temperature: 159 ± 2 K
• Ambient diffraction temperature: 159 ± 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: 0.0603
• Residual factor for significantly intense reflections: 0.0398
• Weighted residual factors for significantly intense reflections: 0.0844
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No