Information card for entry 1543606

Structure parameters

• Formula: C9 H9 N3 O2
• Calculated formula: C9 H9 N3 O2
• SMILES: c1cccc(C2(C)C(=O)NC(=O)N2)n1
• Title of publication: Platinum and palladium complexes with 5-methyl-5-(2-pyridyl)-2,4-imidazolidenedione: Synthesis, crystal and molecular structure, theoretical study, and pharmacological investigation
• Authors of publication: Seyyed Javad Sabounchei; Parisa Shahriary; Yasin Gholiee; Sadegh Salehzadeh; Hamid Reza Khavasi; Abdolkarim Chehregani
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2014
• Pages of publication: 265 - 275
• a: 23.214 ± 0.003 Å
• b: 11.1781 ± 0.0013 Å
• c: 7.3468 ± 0.0011 Å
• α: 90°
• β: 107.068 ± 0.01°
• γ: 90°
• Cell volume: 1822.4 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 4
• 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: 0.087
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1121
• Weighted residual factors for all reflections included in the refinement: 0.125
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No