Information card for entry 1515808

Structure parameters

• Formula: C80 H106 Cl1.7 Ge2 I0.3 Sn2
• Calculated formula: C80 H106 Cl1.7 Ge2 I0.3 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: 11.4346 ± 0.0013 Å
• b: 12.9085 ± 0.0015 Å
• c: 15.1952 ± 0.0017 Å
• α: 111.709 ± 0.002°
• β: 103.674 ± 0.002°
• γ: 103.032 ± 0.002°
• Cell volume: 1899.2 ± 0.4 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0536
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.1078
• Weighted residual factors for all reflections included in the refinement: 0.1142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No