Information card for entry 4086741

Structure parameters

• Formula: C54 H72 Ge5
• Calculated formula: C54 H72 Ge5
• SMILES: [Ge]([Ge]([Ge]([Ge]([Ge](C(C)C)(C(C)C)C(C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)(C(C)C)(C(C)C)C(C)C
• Title of publication: A Series of Isopropyl-Substituted Oligogermanes Pri3Ge(GePh2)nGePri3(n= 0‒3) Featuring a Luminescent and Dichroic Pentagermane Pri3Ge(GePh2)3GePri3
• Authors of publication: Komanduri, Sangeetha P.; Shumaker, F. Alexander; Roewe, Kimberly D.; Wolf, Melanie; Uhlig, Frank; Moore, Curtis E.; Rheingold, Arnold L.; Weinert, Charles S.
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 18
• Pages of publication: 3240
• a: 16.5478 ± 0.0011 Å
• b: 12.6673 ± 0.0009 Å
• c: 25.394 ± 0.0018 Å
• α: 90°
• β: 106.184 ± 0.002°
• γ: 90°
• Cell volume: 5112 ± 0.6 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0881
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.0943
• Weighted residual factors for all reflections included in the refinement: 0.1044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No