Information card for entry 7002240

Structure parameters

• Formula: C24.5 H21 Cl3 N4 Os
• Calculated formula: C24.5 H21 Cl3 N4 Os
• SMILES: c1(ccccc1)N1[Os]2(Cl)(Cl)(N(c3c(cccc3)N2)c2ccccc2)Nc2c1cccc2.ClCCl
• Title of publication: Effect of metal exchange (Os vs. Ru) and co-ligand variation (Cl−vs. acac−) on the oxidation state distribution in complexes of an o-phenylenediamido(2−)/o-quinonediimine redox system
• Authors of publication: Chatterjee, Sudipta; Singh, Priti; Fiedler, Jan; Baková, Radka; Záliš, Stanislav; Kaim, Wolfgang; Goswami, Sreebrata
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 37
• Pages of publication: 7778 - 7785
• a: 12.7015 ± 0.0015 Å
• b: 13.7738 ± 0.0016 Å
• c: 14.8971 ± 0.0018 Å
• α: 95.768 ± 0.007°
• β: 92.31 ± 0.002°
• γ: 111.019 ± 0.005°
• Cell volume: 2412.3 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0608
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.1043
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No