Information card for entry 4081597

Structure parameters

• Formula: C69 H86 I4 N4 P4 Sb2 Si4
• Calculated formula: C69 H86 I4 N4 P4 Sb2 Si4
• Title of publication: CH‒NH Tautomerism in the Products of the Reactions of the Methanide [HC(PPh2NSiMe3)2]−with Pnictogen and Tellurium Iodides
• Authors of publication: Thirumoorthi, Ramalingam; Chivers, Tristram; Gendy, Chris; Vargas-Baca, Ignacio
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 19
• Pages of publication: 5360
• a: 25.502 ± 0.0003 Å
• b: 12.922 ± 0.0004 Å
• c: 26.556 ± 0.0007 Å
• α: 90 ± 0.0011°
• β: 115.123 ± 0.001°
• γ: 90 ± 0.0011°
• Cell volume: 7923.3 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0644
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0851
• Weighted residual factors for all reflections included in the refinement: 0.0935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No