Information card for entry 4335199

Structure parameters

• Formula: C77 H81.5 Cl2.5 N4 O4 P4 Pt2
• Calculated formula: C77 H81.5 Cl2.5 N4 O4 P4 Pt2
• SMILES: ClCCl.ClC(Cl)Cl.[Pt]1([P](c2ccccc2)(c2ccccc2)CCNC(=O)c2cccc(C(=O)NCC[P]([Pt]([P](CCNC(=O)c3cccc(C(=O)NCC[P]1(c1ccccc1)c1ccccc1)c3)(c1ccccc1)c1ccccc1)(C)C)(c1ccccc1)c1ccccc1)c2)(C)C
• Title of publication: A Versatile Diphosphine Ligand: cis and trans Chelation or Bridging, with Self Association through Hydrogen Bonding
• Authors of publication: Nasser Nasser; Aneta Borecki; Paul D. Boyle; Richard J. Puddephatt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7051 - 7060
• a: 17.6919 ± 0.0011 Å
• b: 19.0824 ± 0.0012 Å
• c: 25.5103 ± 0.0016 Å
• α: 71.363 ± 0.002°
• β: 89.258 ± 0.002°
• γ: 75.583 ± 0.002°
• Cell volume: 7882.9 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0714
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No