Information card for entry 4335385

Structure parameters

• Chemical name: Bis(1,3-di(2,6-diisopropylphenyl)-1,3,2-diazaphospholemium)diplatinum(0) dichloride
• Formula: C52 H72 Cl2 N4 P2 Pt2
• Calculated formula: C52 H72 Cl2 N4 P2 Pt2
• SMILES: C1=CN(c2c(cccc2C(C)C)C(C)C)[P]2(N1c1c(cccc1C(C)C)C(C)C)[Pt](Cl)[P]1(N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Pt]2Cl
• Title of publication: Donor-Free Phosphenium-Metal(0)-Halides with Unsymmetrically Bridging Phosphenium Ligands
• Authors of publication: Daniela Förster; Jan Nickolaus; Martin Nieger; Zoltán Benkö; Andreas W. Ehlers; Dietrich Gudat
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 7699 - 7708
• a: 12.916 ± 0.002 Å
• b: 13.47 ± 0.002 Å
• c: 14.903 ± 0.003 Å
• α: 90°
• β: 104.63 ± 0.01°
• γ: 90°
• Cell volume: 2508.7 ± 0.7 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.1025
• Residual factor for significantly intense reflections: 0.0612
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1589
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No