Information card for entry 7239231

Structure parameters

• Formula: C48 H82 Cl4 Hg2 N2 O2 P4
• Calculated formula: C48 H82 Cl4 Hg2 N2 O2 P4
• Title of publication: Phosphanyl-substituted π-excess σ2P heterocycles: Coordination behaviour of 2-di-tert-butylphosphanyl-1-neopentyl-1,3-benzazaphosphole towards CuCl, HgCl2 and [Rh(COD)2]BF4
• Authors of publication: Ghalib, Mohammed; Jones, Peter G.; Palm, Gottfried J.; Heinicke, Joachim W.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 39
• Pages of publication: 17726
• a: 9.7769 ± 0.0004 Å
• b: 12.0198 ± 0.0005 Å
• c: 12.1405 ± 0.0005 Å
• α: 97.106 ± 0.004°
• β: 97.676 ± 0.004°
• γ: 103.809 ± 0.004°
• Cell volume: 1354.99 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0224
• Residual factor for significantly intense reflections: 0.0193
• Weighted residual factors for significantly intense reflections: 0.041
• Weighted residual factors for all reflections included in the refinement: 0.0421
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No