Information card for entry 4079710

Structure parameters

• Formula: C47 H51 Cl5 F12 N6 P2 Pt2
• Calculated formula: C47 H51 Cl5 F12 N6 P2 Pt2
• Title of publication: Regioselective Electrophilic C–H Bond Activation in Triazolylidene Metal Complexes Containing a N-Bound Phenyl Substituent
• Authors of publication: Donnelly, Kate F.; Lalrempuia, Ralte; Müller-Bunz, Helge; Albrecht, Martin
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 23
• Pages of publication: 8414
• a: 13.9629 ± 0.0001 Å
• b: 14.5367 ± 0.0001 Å
• c: 26.3152 ± 0.0002 Å
• α: 90°
• β: 97.6443 ± 0.0008°
• γ: 90°
• Cell volume: 5293.85 ± 0.07 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0592
• Residual factor for significantly intense reflections: 0.0564
• Weighted residual factors for significantly intense reflections: 0.1185
• Weighted residual factors for all reflections included in the refinement: 0.1195
• Goodness-of-fit parameter for all reflections included in the refinement: 1.389
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No