Information card for entry 4070038

Structure parameters

• Formula: C64 H52 Cl2 O5 P4 Pt W
• Calculated formula: C64 H52 Cl2 O5 P4 Pt W
• Title of publication: A Metal-Templated 4 + 2 Cycloaddition Reaction of an Alkyne and a Diyne To Form a 1,2-Aryne
• Authors of publication: Tsui, Jordan A.; Sterenberg, Brian T.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 17
• Pages of publication: 4906
• a: 20.88 ± 0.0019 Å
• b: 15.9958 ± 0.0015 Å
• c: 21.821 ± 0.002 Å
• α: 90°
• β: 117.743 ± 0.001°
• γ: 90°
• Cell volume: 6450.2 ± 1 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0878
• Residual factor for significantly intense reflections: 0.0479
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No