Information card for entry 4323360

Structure parameters

• Formula: C46 H42 Cl5 Hg2 N2 O5 P3
• Calculated formula: C46 H42 Cl5 Hg2 N2 O5 P3
• SMILES: [Hg](Cl)([Cl][Hg](Cl)(Cl)Cl)P1(=O)[C@H](c2ccccc2[C@H]1[P+](c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CN(=O)=O.CN(=O)=O
• 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: 12.449 ± 0.002 Å
• b: 17.583 ± 0.003 Å
• c: 23.111 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5058.8 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections: 0.1028
• Weighted residual factors for significantly intense reflections: 0.097
• Goodness-of-fit parameter for all reflections: 0.889
• Goodness-of-fit parameter for significantly intense reflections: 0.993
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No