Information card for entry 4335200

Structure parameters

• Formula: C37 H39 I N2 O3 P2 Pt
• Calculated formula: C37 H39 I N2 O3 P2 Pt
• SMILES: [Pt]1(I)([P](CCNC(=O)c2cccc(c2)C(=O)NCC[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)C.O
• 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: 10.2201 ± 0.0014 Å
• b: 11.5271 ± 0.0018 Å
• c: 15.413 ± 0.002 Å
• α: 76.047 ± 0.008°
• β: 79.126 ± 0.01°
• γ: 89.563 ± 0.009°
• Cell volume: 1729.2 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0612
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.074
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No