Information card for entry 2207462

Structure parameters

• Chemical name: trans-Dichlorobis(tris{4-[(dimethylamino)methyl]phenyl}phosphine)platinum(II)
• Formula: C54 H72 Cl2 N6 P2 Pt
• Calculated formula: C54 H72 Cl2 N6 P2 Pt
• SMILES: N(Cc1ccc([P](c2ccc(cc2)CN(C)C)(c2ccc(cc2)CN(C)C)[Pt](Cl)([P](c2ccc(cc2)CN(C)C)(c2ccc(cc2)CN(C)C)c2ccc(cc2)CN(C)C)Cl)cc1)(C)C
• Title of publication: <i>trans</i>-Dichlorobis(tris{4-[(dimethylamino)methyl]phenyl}phosphine)platinum(II)
• Authors of publication: Lutz, Martin; Spek, Anthony L.; Kreiter, Robert; Klein Gebbink, Robertus J. M.; Koten, Gerard van
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 12
• Pages of publication: m2728 - m2729
• a: 13.1122 ± 0.0001 Å
• b: 17.62 ± 0.0001 Å
• c: 11.618 ± 0.0001 Å
• α: 90°
• β: 94.9554 ± 0.0004°
• γ: 90°
• Cell volume: 2674.15 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0292
• Residual factor for significantly intense reflections: 0.0203
• Weighted residual factors for significantly intense reflections: 0.0469
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes