Information card for entry 4317574

Structure parameters

• Formula: C36 H28 Hg O2 P2
• Calculated formula: C36 H28 Hg O2 P2
• SMILES: c1(ccccc1)P(=O)(c1ccccc1)c1c([Hg]c2ccccc2P(=O)(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: 11.331 ± 0.003 Å
• b: 9.381 ± 0.002 Å
• c: 14.516 ± 0.004 Å
• α: 90°
• β: 98.3 ± 0.02°
• γ: 90°
• Cell volume: 1526.8 ± 0.7 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• 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: 0.0691
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.0395
• Weighted residual factors for all reflections included in the refinement: 0.0369
• Goodness-of-fit parameter for all reflections: 1.903
• Goodness-of-fit parameter for all reflections included in the refinement: 2.198
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No