Information card for entry 2236078

Structure parameters

• Chemical name: <i>catena</i>-Poly[[chlorido[1-(3-nitrophenyl)-2- (triphenylphosphoranylidene)ethanone-κ<i>C</i>^2^]mercury(II)]-μ-chlorido]
• Formula: C26 H20 Cl2 Hg N O3 P
• Calculated formula: C26 H20 Cl2 Hg N O3 P
• SMILES: [Hg](Cl)(Cl)([C@H]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1cc(ccc1)N(=O)=O)[Cl][Hg](Cl)[C@H]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1cc(ccc1)N(=O)=O.[Hg](Cl)(Cl)([C@@H]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1cc(ccc1)N(=O)=O)[Cl][Hg](Cl)[C@@H]([P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)c1cc(ccc1)N(=O)=O
• Title of publication: <i>catena</i>-Poly[[chlorido[1-(3-nitrophenyl)-2-(triphenylphosphoranylidene)ethanone-κ<i>C</i>^2^]mercury(II)]-μ-chlorido]
• Authors of publication: Dadrass, Alireza; Khalafy, Jabbar; Rahchamani, Hojjatollah; Nasri Koureh, Hassan; Yaghoobnejad Asl, Hooman
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 11
• Pages of publication: m1400 - m1401
• a: 12.589 ± 0.003 Å
• b: 8.1026 ± 0.0017 Å
• c: 25.231 ± 0.006 Å
• α: 90°
• β: 105.174 ± 0.002°
• γ: 90°
• Cell volume: 2483.9 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0336
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes