Information card for entry 2239133

Structure parameters

• Chemical name: Dichlorido(1,10-phenanthroline-5,6-dione-\ κ^2^<i>N</i>,<i>N</i>')platinum(II) acetonitrile monosolvate
• Formula: C14 H9 Cl2 N3 O2 Pt
• Calculated formula: C14 H9 Cl2 N3 O2 Pt
• SMILES: [Pt]1([n]2cccc3C(=O)C(=O)c4ccc[n]1c4c23)(Cl)Cl.N#CC
• Title of publication: An acetonitrile solvatomorph of dichlorido(1,10-phenanthroline-5,6-dione)platinum(II)
• Authors of publication: Hamala, Amanda; Fritz, Carissa; Rawji, Gulnar; Lynch, Vincent
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 1
• Pages of publication: m11 - m12
• a: 6.7285 ± 0.0002 Å
• b: 22.638 ± 0.0006 Å
• c: 9.7561 ± 0.0003 Å
• α: 90°
• β: 98.074 ± 0.0017°
• γ: 90°
• Cell volume: 1471.32 ± 0.07 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0498
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes