Information card for entry 4075173

Structure parameters

• Formula: C36 H50 Ge N2 O Se
• Calculated formula: C36 H50 Ge N2 O Se
• SMILES: [Ge]1(=[Se])(O)N(C(=CC(=[N]1c1c(cccc1C(C)C)C(C)C)C)C)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1
• Title of publication: Preparation of LGe(Se)OH: A Germanium Analogue of a Selenocarboxylic Acid (L = HC[(CMe)(NAr)]2, Ar = 2,6-iPr2C6H3)
• Authors of publication: Pineda, Leslie W.; Jancik, Vojtech; Oswald, Rainer B.; Roesky, Herbert W.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 9
• Pages of publication: 2384
• a: 25.974 ± 0.004 Å
• b: 16.195 ± 0.003 Å
• c: 18.151 ± 0.003 Å
• α: 90°
• β: 115.82 ± 0.03°
• γ: 90°
• Cell volume: 6873 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0238
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0608
• Weighted residual factors for all reflections included in the refinement: 0.062
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No