Information card for entry 4334445

Structure parameters

• Formula: C48 H58 Cd Cl2 N4 O9 Pt2 S4
• Calculated formula: C48 H56 Cd Cl2 N4 O9 Pt2 S4
• SMILES: [Pt]123([Cd]4([Pt]56([S]4c4ccccc4S5)[n]4ccc(cc4c4[n]6ccc(c4)C(C)(C)C)C(C)(C)C)([S]2c2c(S1)cccc2)([OH2])OCl(=O)(=O)=O)[n]1ccc(cc1c1[n]3ccc(c1)C(C)(C)C)C(C)(C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Integration of Alkyl-Substituted Bipyridyl Benzenedithiolato Platinum(II) Complexes with Cadmium(II) Ion via Selective Dative Bond Formation
• Authors of publication: Hirotaka Honda; Takeshi Matsumoto; Misaki Sakamoto; Atsushi Kobayashi; Ho-Chol Chang; Masako Kato
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 4324 - 4334
• a: 12.7905 ± 0.0015 Å
• b: 14.9908 ± 0.0019 Å
• c: 15.3746 ± 0.0018 Å
• α: 104.643 ± 0.0016°
• β: 91.693 ± 0.0013°
• γ: 107.757 ± 0.0013°
• Cell volume: 2698 ± 0.6 ų
• Cell temperature: 223 K
• Ambient diffraction temperature: 223 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for all reflections included in the refinement: 0.1528
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No