Information card for entry 2218059

Structure parameters

• Chemical name: Di-μ-iodido- bis{[(4-fluorobenzoylmethylene)triphenyl-λ^5^-phosphorane]iodidomercury(II)}
• Formula: C52 H40 F2 Hg2 I4 O2 P2
• Calculated formula: C52 H40 F2 Hg2 I4 O2 P2
• SMILES: c1(ccccc1)[P+](c1ccccc1)(c1ccccc1)[C@H](C(=O)c1ccc(cc1)F)[Hg]1([I][Hg]([I]1)(I)[C@@H]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1ccc(F)cc1)I
• Title of publication: Di-μ-iodido-bis{[(4-fluorobenzoylmethylene)triphenyl-λ^5^-phosphorane]iodidomercury(II)}
• Authors of publication: Akkurt, Mehmet; Karami, Kazem; Yalçın, Şerife Pınar; Büyükgüngör, Orhan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m612 - m613
• a: 10.0346 ± 0.0016 Å
• b: 11.8594 ± 0.0019 Å
• c: 13.235 ± 0.002 Å
• α: 92.513 ± 0.013°
• β: 111.293 ± 0.012°
• γ: 113.117 ± 0.012°
• Cell volume: 1317.3 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0682
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0833
• Weighted residual factors for all reflections included in the refinement: 0.0894
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes