Information card for entry 7001498

Structure parameters

• Formula: C47 H60 B2 O7 P4
• Calculated formula: C47 H60 B2 O7 P4
• SMILES: C(P(=O)(OCC)OCC)(Cc1ccc(cc1)[P]([BH3])(c1ccccc1)c1ccccc1)(P(=O)(OCC)OCC)Cc1ccc(cc1)[P]([BH3])(c1ccccc1)c1ccccc1.O
• 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: 23.2795 ± 0.0003 Å
• b: 14.6939 ± 0.0001 Å
• c: 14.221 ± 0.0002 Å
• α: 90°
• β: 105.99 ± 0.0006°
• γ: 90°
• Cell volume: 4676.32 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• 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: 0.0603
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1079
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No