Information card for entry 4075082

Structure parameters

• Formula: C37 H48 Ge I3 O3
• Calculated formula: C37 H48 Ge I3 O3
• SMILES: c1ccccc1.C(c1c(ccc(c1)C(C)(C)C)OC)(c1c(ccc(c1)C(C)(C)C)OC)(c1c(ccc(c1)C(C)(C)C)OC)[Ge](I)(I)I
• Title of publication: Syntheses, Structures, and Reactions of Heptacoordinate Trihalogermanes Bearing a Triarylmethyl-Type Tetradentate Ligand
• Authors of publication: Iwanaga, Kohei; Kobayashi, Junji; Kawashima, Takayuki; Takagi, Nozomi; Nagase, Shigeru
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 14
• Pages of publication: 3388
• a: 19.9244 ± 0.0005 Å
• b: 19.9244 ± 0.0005 Å
• c: 19.9244 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7909.6 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 205
• Hermann-Mauguin space group symbol: P a -3
• Hall space group symbol: -P 2ac 2ab 3
• Residual factor for all reflections: 0.0592
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for significantly intense reflections: 0.1592
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No