Information card for entry 4317578

Structure parameters

• Formula: C54 H42 Cl Hg P3 Pt
• Calculated formula: C54 H42 Cl Hg P3 Pt
• SMILES: [Pt]1([P](c2c([Hg]3Cl)cccc2)(c2ccccc2)c2ccccc2)([P](c2c1cccc2)(c1ccccc1)c1ccccc1)c1c([P]3(c2ccccc2)c2ccccc2)cccc1
• Title of publication: Bis{(2-diphenylphosphino)phenyl}mercury: A P-Donor Ligand and Precursor to Mixed Metal-Mercury (d8-d10) Cyclometalated Complexes Containing 2-C6H4PPh2
• Authors of publication: Martin A. Bennett; Maria Contel; David C. R. Hockless; Lee L. Welling; Anthony C. Willis
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 844 - 855
• a: 13.15 ± 0.003 Å
• b: 12.912 ± 0.006 Å
• c: 26.724 ± 0.002 Å
• α: 90°
• β: 94.09 ± 0.01°
• γ: 90°
• Cell volume: 4526 ± 2 ų
• Cell temperature: 193.2 K
• Ambient diffraction temperature: 193.2 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: 0.0532
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for all reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections: 1.522
• Goodness-of-fit parameter for all reflections included in the refinement: 1.635
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No