Information card for entry 4323790

Structure parameters

• Formula: C52 H57 Cl2 N2 O P3 Pt
• Calculated formula: C52 H57 Cl2 N2 O P3 Pt
• SMILES: [Pt]1(Cl)([P](c2ccccc2)(C)C)[N](=P(c2ccccc2)(c2ccccc2)C(P(=[N]1c1ccc(cc1)C)(c1ccccc1)c1ccccc1)C)c1ccc(cc1)C.O1CCCC1.[Cl-]
• Title of publication: Monodentate σ-N and Bidentate σ-N,σ-N' Coordination of 1,1-Bis((N-p-tolylimino)diphenylphosphoranyl)ethane, CHCH3(PPh2NC6H4-4-CH3)2, to Platinum(II)
• Authors of publication: Mandy W. Avis; Cornelis J. Elsevier; Nora Veldman; Huub Kooijman; Anthony L. Spek
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 1518 - 1528
• a: 12.4021 ± 0.0007 Å
• b: 16.9705 ± 0.0011 Å
• c: 23.76 ± 0.002 Å
• α: 90°
• β: 109.544 ± 0.005°
• γ: 90°
• Cell volume: 4712.6 ± 0.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.1135
• Residual factor for significantly intense reflections: 0.0572
• Weighted residual factors for all reflections: 0.1215
• Weighted residual factors for significantly intense reflections: 0.1088
• Goodness-of-fit parameter for all reflections: 0.996
• Goodness-of-fit parameter for significantly intense reflections: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No