Information card for entry 7043983

Structure parameters

• Chemical name: cis-[tetrachlorido-bis(1H-indazole)osmate(IV)] acetone solvate
• Formula: C17 H18 Cl4 N4 O Os
• Calculated formula: C17 H18 Cl4 N4 O Os
• SMILES: [Os](Cl)(Cl)(Cl)(Cl)([n]1[nH]c2c(c1)cccc2)[n]1[nH]c2c(c1)cccc2.O=C(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: 13.1258 ± 0.0004 Å
• b: 12.2645 ± 0.0004 Å
• c: 17.8016 ± 0.0004 Å
• α: 90°
• β: 131.537 ± 0.001°
• γ: 90°
• Cell volume: 2145.08 ± 0.11 ų
• Cell temperature: 199 ± 2 K
• Ambient diffraction temperature: 199 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0184
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No