Information card for entry 7714608

Structure parameters

• Formula: C104 H170 Cl2 Ga2 Ge2 N6 Si2
• Calculated formula: C99 H158 Cl2 Ga2 Ge2 N6 Si2
• SMILES: [Ge@]1([Ge@](N([Si](C)(C)C)c2c(cccc2C(C)C)C(C)C)(CC1)CC[Ga]1(Cl)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)(N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)CC[Ga]1(Cl)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C.CCCCC.[Ge@@]1([Ge@@](N([Si](C)(C)C)c2c(cccc2C(C)C)C(C)C)(CC1)CC[Ga]1(Cl)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)(N([Si](C)(C)C)c1c(cccc1C(C)C)C(C)C)CC[Ga]1(Cl)[N](=C(C)C=C(N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C.CCCCC
• Title of publication: Multiple ethylene activation by heteroleptic L(Cl)Ga-substituted germylenes.
• Authors of publication: Bücker, Anna; Wölper, Christoph; Siera, Hannah; Haberhauer, Gebhard; Schulz, Stephan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 640 - 646
• a: 27.3921 ± 0.0014 Å
• b: 14.6446 ± 0.0007 Å
• c: 29.8421 ± 0.0015 Å
• α: 90°
• β: 113.082 ± 0.002°
• γ: 90°
• Cell volume: 11012.7 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0473
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for significantly intense reflections: 0.1033
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.106
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No