Information card for entry 7704844

Structure parameters

• Formula: C22 H27 Cl2 N P2 Pt
• Calculated formula: C22 H27 Cl2 N P2 Pt
• SMILES: [Pt]1(Cl)(Cl)[P](n2c([P]1(c1ccccc1)c1ccccc1)ccc2)(C(C)C)C(C)C
• Title of publication: Study and modular synthesis of unsymmetrical bis(phosphino)pyrrole ligands.
• Authors of publication: Fokwa, Hilary D.; Vidlak, Julia F.; Weinberg, Sophie C.; Duplessis, Isaiah D.; Schley, Nathan D.; Johnson, Miles W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 29
• Pages of publication: 9957 - 9960
• a: 9.9874 ± 0.0002 Å
• b: 16.6163 ± 0.0003 Å
• c: 14.1086 ± 0.0003 Å
• α: 90°
• β: 97.565 ± 0.002°
• γ: 90°
• Cell volume: 2320.99 ± 0.08 ų
• Cell temperature: 99.96 ± 0.12 K
• Ambient diffraction temperature: 99.96 ± 0.12 K
• Number of distinct elements: 6
• 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: 0.0274
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No