Information card for entry 7029268

Structure parameters

• Formula: C26 H21 Cl2 Hg N P2
• Calculated formula: C26 H21 Cl2 Hg N P2
• SMILES: [Hg]1(Cl)(Cl)[P](c2c(C3Nc4c([P]1=3)cc(cc4)C)cccc2)(c1ccccc1)c1ccccc1
• Title of publication: Impact of high π-density on the coordination properties of π-excess aromatic neutral σ2P ligands‒P(π)-donor bonds to Ag+ and HgCl2.
• Authors of publication: Ghalib, Mohammed; Könczöl, László; Nyulászi, László; Jones, Peter G.; Palm, Gottfried J.; Heinicke, Joachim W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 1
• Pages of publication: 51 - 54
• a: 9.3339 ± 0.0003 Å
• b: 28.7742 ± 0.0009 Å
• c: 9.6247 ± 0.0003 Å
• α: 90°
• β: 94.243 ± 0.004°
• γ: 90°
• Cell volume: 2577.87 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0333
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections included in the refinement: 0.0442
• Goodness-of-fit parameter for all reflections included in the refinement: 1.127
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No