Information card for entry 2017832

Structure parameters

• Chemical name: <i>cis</i>-diacetonitrile[(1<i>R</i>,2<i>R</i>)-1,2-diaminocyclohexane- κ^2^<i>N</i>,<i>N</i>']platinum(II) dinitrate monohydrate
• Formula: C10 H22 N6 O7 Pt
• Calculated formula: C10 H22 N6 O7 Pt
• SMILES: [Pt]1([NH2][C@@H]2CCCC[C@H]2[NH2]1)([N]#CC)[N]#CC.N(=O)(=O)[O-].N(=O)(=O)[O-].O
• Title of publication: A new [(1<i>R</i>,2<i>R</i>)-1,2-diaminocyclohexane]platinum(II) complex: formation by nitrate‒acetonitrile ligand exchange
• Authors of publication: Pažout, Richard; Housková, Jitka; Dušek, Michal; Maixner, Jaroslav; Cibulková, Jana; Kačer, Petr
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m273 - m275
• a: 12.6799 ± 0.0003 Å
• b: 12.0326 ± 0.0003 Å
• c: 11.6791 ± 0.0002 Å
• α: 90°
• β: 94.5495 ± 0.0017°
• γ: 90°
• Cell volume: 1776.29 ± 0.07 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: 0.0136
• Residual factor for significantly intense reflections: 0.0121
• Weighted residual factors for significantly intense reflections: 0.0298
• Weighted residual factors for all reflections included in the refinement: 0.0301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes