Information card for entry 1515229

Structure parameters

• Formula: C8 H12 Cl3 N5 Os
• Calculated formula: C8 H12 Cl3 N5 Os
• SMILES: c1cc([nH][n]1[Os](#N)(Cl)(Cl)([n]1ccc(C)[nH]1)Cl)C
• Title of publication: Osmium(vi) nitrido complexes bearing azole heterocycles: a new class of antitumor agents
• Authors of publication: Ni, Wen-Xiu; Man, Wai-Lun; Yiu, Shek-Man; Ho, Man; Cheung, Myra Ting-Wai; Ko, Chi-Chiu; Che, Chi-Ming; Lam, Yun-Wah; Lau, Tai-Chu
• Journal of publication: Chemical Science
• Year of publication: 2012
• Journal volume: 3
• Journal issue: 5
• Pages of publication: 1582
• a: 10.314 ± 0.005 Å
• b: 15.45 ± 0.006 Å
• c: 8.562 ± 0.005 Å
• α: 90°
• β: 96.39 ± 0.05°
• γ: 90°
• Cell volume: 1355.9 ± 1.2 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: 0.0216
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0418
• Weighted residual factors for all reflections included in the refinement: 0.0423
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No