Information card for entry 4335198

Structure parameters

• Formula: C38 H40 N2 O2 P2 Pt
• Calculated formula: C38 H40 N2 O2 P2 Pt
• SMILES: [Pt]1([P](CCNC(=O)c2cccc(C(=O)NCC[P]1(c1ccccc1)c1ccccc1)c2)(c1ccccc1)c1ccccc1)(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: 10.0685 ± 0.0009 Å
• b: 17.8332 ± 0.0016 Å
• c: 18.5484 ± 0.0016 Å
• α: 90°
• β: 91.297 ± 0.002°
• γ: 90°
• Cell volume: 3329.6 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0546
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No