Information card for entry 7043039

Structure parameters

• Formula: C44 H84 Ga2 P2 Si2
• Calculated formula: C44 H84 Ga2 P2 Si2
• SMILES: [Ga]1([PH]([Ga]([PH]1[Si](c1ccccc1)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C)[Si](c1ccccc1)(C(C)(C)C)C(C)(C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: Improved reactivity of a cyclic 13/15 compound by increased steric demand
• Authors of publication: Balmer, Markus; Kapitein, Manuel; von Hänisch, Carsten
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• a: 11.8035 ± 0.0005 Å
• b: 12.1037 ± 0.0005 Å
• c: 18.2645 ± 0.0008 Å
• α: 101.383 ± 0.001°
• β: 104.321 ± 0.002°
• γ: 96.903 ± 0.002°
• Cell volume: 2439.01 ± 0.18 ų
• Cell temperature: 110 K
• Ambient diffraction temperature: 110 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0274
• Residual factor for significantly intense reflections: 0.0214
• Weighted residual factors for significantly intense reflections: 0.0476
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No