Information card for entry 7033374

Structure parameters

• Chemical name: catena-(sodium-bis(nitromethane)-trans-[tetra-miu-chlorido-bis(1-ethylindazole)ruthenate(III)
• Formula: C20 H26 Cl4 N6 Na O4 Ru
• Calculated formula: C20 H26 Cl4 N6 Na O4 Ru
• SMILES: N(=O)(=O)C.[Na+].C(C)n1c2c(c[n]1[Ru](Cl)(Cl)(Cl)(Cl)[n]1cc3ccccc3n1CC)cccc2.CN(=O)=O
• Title of publication: Improved reaction conditions for the synthesis of new NKP-1339 derivatives and preliminary investigations on their anticancer potential.
• Authors of publication: Kuhn, P.-S.; Pichler, V.; Roller, A.; Hejl, M.; Jakupec, M. A.; Kandioller, W.; Keppler, B. K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 2
• Pages of publication: 659 - 668
• a: 7.6282 ± 0.0004 Å
• b: 25.0359 ± 0.0015 Å
• c: 7.5616 ± 0.0005 Å
• α: 90°
• β: 110.609 ± 0.0018°
• γ: 90°
• Cell volume: 1351.68 ± 0.14 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No