Information card for entry 7703550

Structure parameters

• Formula: C45 H37 N7 O4 Os P
• Calculated formula: C45 H37 N7 O4 Os P
• SMILES: [Os]1(C#N)(C#N)(C#N)([n]2c(c3c(ccc(c3)N(=O)=O)O1)oc1ccccc21)=NN1CCCCC1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Field-induced slow magnetic relaxation in low-spin S = 1/2 mononuclear osmium(v) complexes.
• Authors of publication: Su, Qian-Qian; Fan, Kun; Huang, Xin-Da; Xiang, Jing; Cheng, Shun-Cheung; Ko, Chi-Chiu; Zheng, Li-Min; Kurmoo, Mohamedally; Lau, Tai-Chu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 13
• Pages of publication: 4084 - 4092
• a: 7.813 ± 0.0001 Å
• b: 15.561 ± 0.0003 Å
• c: 17.9993 ± 0.0005 Å
• α: 83.827 ± 0.002°
• β: 83.232 ± 0.002°
• γ: 79.233 ± 0.002°
• Cell volume: 2126.6 ± 0.08 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1022
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 0.786
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No