Information card for entry 7111721

Structure parameters

• Formula: C35 H52 Cl Ga N2 O2
• Calculated formula: C35 H52 Cl Ga N2 O2
• SMILES: C1(C)(C)C[N]2=Cc3cc(cc(c3O[Ga]32([N](C1)=Cc1cc(cc(c1O3)C(C)(C)C)C(C)(C)C)Cl)C(C)(C)C)C(C)(C)C
• Title of publication: Gallium-containing conducting metallopolymers which display chemically tunable reactivity for the growth of Ga2S3 semiconducting nanoparticles
• Authors of publication: Mejía, Michelle L.; Reeske, Gregor; Holliday, Bradley J.
• Journal of publication: Chemical Communications
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 29
• Pages of publication: 5355 - 5357
• a: 12.128 ± 0.002 Å
• b: 22.649 ± 0.003 Å
• c: 25.834 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7096 ± 2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0864
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.0936
• Weighted residual factors for all reflections included in the refinement: 0.1099
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No