Information card for entry 4119327

Structure parameters

• Formula: C35 H39 Br2 Cl3 Ge N6 S4
• Calculated formula: C35 H17 Br2 Cl3 Ge N6 S4
• Title of publication: Impact of Regiochemistry and Isoelectronic Bridgehead Substitution on the Molecular Shape and Bulk Organization of Narrow Bandgap Chromophores
• Authors of publication: Gregory C. Welch; Ronald C. Bakus; Simon J. Teat; Guillermo C. Bazan
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 2298 - 2305
• a: 11.8522 ± 0.0008 Å
• b: 13.1085 ± 0.0009 Å
• c: 13.9655 ± 0.001 Å
• α: 98.334 ± 0.002°
• β: 103.295 ± 0.003°
• γ: 97.947 ± 0.002°
• Cell volume: 2055.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0752
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1321
• Weighted residual factors for all reflections included in the refinement: 0.1447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No