Information card for entry 7060114

Structure parameters

• Formula: C45 H67 Cl5 N2 O4 P2 Pt Se Sn5
• Calculated formula: C45 H67 Cl5 N2 O4 P2 Pt Se Sn5
• SMILES: [Pt]12([Se]c3[n]2cccc3)[P](c2ccccc2)(c2ccccc2)CCC[P]1(c1ccccc1)c1ccccc1.[Sn](Cl)(Cl)([O]1[Sn](Cl)([O]2[Sn]1([O]1[Sn]2(Cl[Sn]1(Cl)(C)C)(C)C)(C)C)(C)C)(C)C.O=CN(C)C
• Title of publication: A serendipitous isolation of cocrystallized platinum‒tin complexes: synthesis, structure and theoretical exploration
• Authors of publication: Chauhan, Rohit Singh; Singh, Saurabh Kumar; Tyagi, Adish; Golen, James A.; Rheingold, Arnold L.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 20945 - 20955
• a: 14.1404 ± 0.0011 Å
• b: 35.42 ± 0.003 Å
• c: 13.8364 ± 0.0011 Å
• α: 90°
• β: 120.445 ± 0.002°
• γ: 90°
• Cell volume: 5974.5 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0744
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No