Information card for entry 7001500

Structure parameters

• Formula: C101 H118 Cl18 O12 P8 Pt2
• Calculated formula: C101 H118 Cl18 O12 P8 Pt2
• SMILES: [Pt]1(Cl)(Cl)[P](c2ccc(CC(P(=O)(OCC)OCC)(P(=O)(OCC)OCC)Cc3ccc(cc3)[P]([Pt](Cl)(Cl)[P](c3ccc(CC(P(=O)(OCC)OCC)(Cc4ccc(cc4)[P]1(c1ccccc1)c1ccccc1)P(=O)(OCC)OCC)cc3)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)cc2)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Complexes of hydrophilic triphenylphosphines modified with gem-bis(phosphonate) moiety. An unusual simultaneous cis and trans arrangements in the Pt(ii) dinuclear complex
• Authors of publication: Drahoš, Bohuslav; Rohlík, Zbyněk; Kotek, Jan; Císařová, Ivana; Hermann, Petr
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 25
• Pages of publication: 4942 - 4953
• a: 17.5897 ± 0.0002 Å
• b: 18.3345 ± 0.0003 Å
• c: 20.9857 ± 0.0003 Å
• α: 84.3179 ± 0.0007°
• β: 68.7386 ± 0.0009°
• γ: 69.7078 ± 0.0009°
• Cell volume: 5912.98 ± 0.15 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0708
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No