Information card for entry 1515804

Structure parameters

• Formula: C80 H106 Cl2 Si2 Sn2
• Calculated formula: C80 H106 Cl2 Si2 Sn2
• Title of publication: Substituent effects in ditetrel alkyne analogues: multiple vs. single bonded isomers
• Authors of publication: Peng, Yang; Fischer, Roland C.; Merrill, W. Alexander; Fischer, Jelena; Pu, Lihung; Ellis, Bobby D.; Fettinger, James C.; Herber, Rolfe H.; Power, Philip P.
• Journal of publication: Chemical Science
• Year of publication: 2010
• Journal volume: 1
• Journal issue: 4
• Pages of publication: 461
• a: 11.3422 ± 0.0006 Å
• b: 12.9163 ± 0.0006 Å
• c: 15.1478 ± 0.0011 Å
• α: 112.053 ± 0.001°
• β: 103.247 ± 0.001°
• γ: 103.156 ± 0.001°
• Cell volume: 1877.18 ± 0.19 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0295
• Weighted residual factors for significantly intense reflections: 0.08
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No