Information card for entry 7043984

Structure parameters

• Chemical name: trans-[Dichlorido-bis(1H-indazole)osmate(IV)]didimethylsulfoxide solvate
• Formula: C18 H24 Cl4 N4 O2 Os S2
• Calculated formula: C18 H24 Cl4 N4 O2 Os S2
• SMILES: [Os](Cl)(Cl)(Cl)(Cl)([n]1[nH]c2c(c1)cccc2)[n]1[nH]c2c(c1)cccc2.S(=O)(C)C.S(=O)(C)C
• Title of publication: cis-Tetrachlorido-bis(indazole)osmium(IV) and its osmium(III) analogues: paving the way towards the cis-isomer of the ruthenium anticancer drugs KP1019 and/or NKP1339
• Authors of publication: Büchel, Gabriel E.; Kossatz, Susanne; Sadique, Ahmad; Rapta, P.; Zalibera, Michal; Bucinsky, Lukas; Komorovsky, Stanislav; Telser, Joshua; Eppinger, Jörg; Reiner, Thomas; Arion, Vladimir
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 10.2354 ± 0.0006 Å
• b: 14.3781 ± 0.0006 Å
• c: 16.4733 ± 0.0009 Å
• α: 90°
• β: 91.046 ± 0.002°
• γ: 90°
• Cell volume: 2423.9 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0476
• Residual factor for significantly intense reflections: 0.0266
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0579
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No