Information card for entry 2211047

Structure parameters

• Chemical name: (4,7-Dimethyl-1,10-phenanthroline)(ethylenediamine)platinum(II) dichloride tris(deuterium oxide) solvate
• Formula: C16 H16 Cl2 D10 N4 O3 Pt
• Calculated formula: C16 H16 Cl2 D10 N4 O3 Pt
• SMILES: [Pt]12([n]3ccc(c4ccc5c(cc[n]2c5c34)C)C)[N]([2H])([2H])CC[N]1([2H])[2H].[Cl-].[Cl-].O([2H])[2H].O([2H])[2H].O([2H])[2H]
• Title of publication: (4,7-Dimethyl-1,10-phenanthroline)(ethylenediamine)platinum(II) dichloride tris(deuterium oxide) solvate
• Authors of publication: Brodie, Craig R.; Turner, Peter; Wheate, Nial J.; Aldrich-Wright, Janice R.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 11
• Pages of publication: m3137 - m3139
• a: 11.3986 ± 0.0016 Å
• b: 7.1092 ± 0.001 Å
• c: 24.761 ± 0.004 Å
• α: 90°
• β: 101.623 ± 0.002°
• γ: 90°
• Cell volume: 1965.4 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0231
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0371
• Weighted residual factors for all reflections included in the refinement: 0.0382
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes