Information card for entry 4305768

Structure parameters

• Chemical name: 1,4-Bis[bis(bis(o-methoxyphenoxy)phosphino)amino dichloroplatinum(II)]benzene Chloroform solvate
• Formula: C64 H62 Cl10 N2 O16 P4 Pt2
• Calculated formula: C64 H62 Cl10 N2 O16 P4 Pt2
• SMILES: N1([P](Oc2ccccc2OC)(Oc2ccccc2OC)[Pt]([P]1(Oc1c(OC)cccc1)Oc1ccccc1OC)(Cl)Cl)c1ccc(N2[P](Oc3ccccc3OC)(Oc3ccccc3OC)[Pt]([P]2(Oc2ccccc2OC)Oc2ccccc2OC)(Cl)Cl)cc1.C(Cl)(Cl)Cl.C(Cl)(Cl)Cl
• Title of publication: New Tetraphosphane Ligands {(X2P)2NC6H4N(PX2)2} (X = Cl, F, OMe, OC6H4OMe-o): Synthesis, Derivatization, Group 10 and 11 Metal Complexes and Catalytic Investigations. DFT Calculations on Intermolecular P...P Interactions in Halo-Phosphines
• Authors of publication: Chelladurai Ganesamoorthy; Maravanji S. Balakrishna; Joel T. Mague; Heikki M. Tuononen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 7035 - 7047
• a: 10.5897 ± 0.0008 Å
• b: 18.44 ± 0.001 Å
• c: 19.093 ± 0.001 Å
• α: 90°
• β: 98.047 ± 0.001°
• γ: 90°
• Cell volume: 3691.7 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0222
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0464
• Weighted residual factors for all reflections included in the refinement: 0.0474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No