Information card for entry 1515231

Structure parameters

• Formula: C16 H16 Cl3 N5 Os
• Calculated formula: C16 H16 Cl3 N5 Os
• SMILES: [Os](Cl)(Cl)(Cl)(#N)([n]1cn(C)c2c1cccc2)[n]1cn(C)c2c1cccc2
• 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: 10.4137 ± 0.0003 Å
• b: 11.0728 ± 0.0003 Å
• c: 11.4646 ± 0.0003 Å
• α: 87.628 ± 0.002°
• β: 70.662 ± 0.002°
• γ: 66.25 ± 0.002°
• Cell volume: 1135.25 ± 0.06 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0197
• Residual factor for significantly intense reflections: 0.0174
• Weighted residual factors for significantly intense reflections: 0.0497
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MOKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No