Information card for entry 4323361

Structure parameters

• Chemical name: Dibromo-(2-methoxy-1,3-bis(triphenylphosphonio)-isophosphindol)- quecksilber(II)
• Formula: C47 H41 Br2 Cl4 Hg O P3
• Calculated formula: C47 H41 Br2 Cl4 Hg O P3
• SMILES: [Hg](Br)(Br)[P]1(OC)C(c2ccccc2C1=P(c1ccccc1)(c1ccccc1)c1ccccc1)=P(c1ccccc1)(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: Reactions of Bis(triphenylphosphonio)isophosphindolide Salts with Mercury(II) Compounds: Coordination Induced Addition and Oxidation Reactions and Synthesis of a Monomeric 1:1 Complex of the Type [R2(R'O)P]HgBr2
• Authors of publication: Dietrich Gudat; Martin Nieger; Martin Schrott
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 1476 - 1481
• a: 20.028 ± 0.002 Å
• b: 15.513 ± 0.002 Å
• c: 30.247 ± 0.008 Å
• α: 90°
• β: 91.91 ± 0.01°
• γ: 90°
• Cell volume: 9392 ± 3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0698
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for all reflections: 0.1774
• Weighted residual factors for significantly intense reflections: 0.1648
• Goodness-of-fit parameter for all reflections: 1.115
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No