Information card for entry 4084680

Structure parameters

• Formula: C37 H36 N2 O2 P2 Pt
• Calculated formula: C37 H36 N2 O2 P2 Pt
• SMILES: [Pt]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(C)c1cccn(=O)c1c1ccccn1.O
• Title of publication: Carbon‒Hydrogen versus Nitrogen‒Oxygen Bond Activation in Reactions of N-Oxide Derivatives of 2,2′-Bipyridine and 1,10-Phenanthroline with a Dimethylplatinum(II) Complex
• Authors of publication: Moustafa, Mohamed E.; Boyle, Paul D.; Puddephatt, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 19
• Pages of publication: 5402
• a: 20.636 ± 0.006 Å
• b: 9.673 ± 0.002 Å
• c: 18.171 ± 0.005 Å
• α: 90°
• β: 115.556 ± 0.01°
• γ: 90°
• Cell volume: 3272.3 ± 1.5 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 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: 0.0635
• Residual factor for significantly intense reflections: 0.0337
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No