Information card for entry 7103952

Structure parameters

• Formula: C40 H64 Ga4 I8 O2 Si4
• Calculated formula: C40 H64 Ga4 I8 O2 Si4
• SMILES: [C@]([Ga](I)I)(/C(C#C[Si](C)(C)C)=C(\C#C[Si](C)(C)C)[C@@]([Ga](I)(I)[O]=C(C)C)([Ga](I)I)[Si](C)(C)C)([Ga](I)(I)[O]=C(C)C)[Si](C)(C)C.c1(C)ccccc1.c1(ccccc1)C
• Title of publication: The reaction of "GaI" with a 1,3-diyne: synthesis, characterisation and reactivity of a novel C‒C coupled ene‒diyne‒bis(gem-organodigallium(III)) complex
• Authors of publication: Baker, Robert J.; Jones, Cameron
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 390 - 391
• a: 11.973 ± 0.002 Å
• b: 22.496 ± 0.005 Å
• c: 11.547 ± 0.002 Å
• α: 90°
• β: 94.52 ± 0.03°
• γ: 90°
• Cell volume: 3100.4 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0866
• Residual factor for significantly intense reflections: 0.0642
• Weighted residual factors for significantly intense reflections: 0.1532
• Weighted residual factors for all reflections included in the refinement: 0.1645
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No