Information card for entry 7045844

Structure parameters

• Formula: C12 H15 N3 O3 Se
• Calculated formula: C12 H15 N3 O3 Se
• Title of publication: Anti-tumour active gold(i), palladium(ii) and ruthenium(ii) complexes with thio- and selenoureato ligands: a comparative study.
• Authors of publication: Molter, Anja; Kathrein, Stefanie; Kircher, Brigitte; Mohr, Fabian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 14
• Pages of publication: 5055 - 5064
• a: 6.937 ± 0.0004 Å
• b: 19.1712 ± 0.001 Å
• c: 10.1432 ± 0.0005 Å
• α: 90°
• β: 93.424 ± 0.005°
• γ: 90°
• Cell volume: 1346.54 ± 0.12 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• 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: 0.058
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.0778
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 0.924
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No