Information card for entry 2018717

Structure parameters

• Chemical name: <i>cis</i>-dibromido[(1<i>R</i>,2<i>R</i>)-cyclohexane-1,2-diamine- κ^2^<i>N</i>,<i>N</i>']platinum(II)}
• Formula: C6 H14 Br2 N2 Pt
• Calculated formula: C6 H14 Br2 N2 Pt
• SMILES: [Pt]1(Br)(Br)[NH2][C@@H]2CCCC[C@H]2[NH2]1
• Title of publication: A new platinum‒bromine cyclohexanediamine complex from the family of cancer cytostatics
• Authors of publication: Pažout, Richard; Maixner, Jaroslav; Holakovská, Jitka; Dušek, Michal; Kačer, Petr
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m340 - m343
• a: 11.716 ± 0.003 Å
• b: 7.1266 ± 0.0014 Å
• c: 13.288 ± 0.002 Å
• α: 90°
• β: 97.423 ± 0.017°
• γ: 90°
• Cell volume: 1100.2 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.036
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.0399
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 2.16
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes