Information card for entry 4348684

Structure parameters

• Formula: C84 H86 Ga2 N4 O3
• Calculated formula: C84 H86 Ga2 N4 O3
• SMILES: C12C(c3c4c1cccc4ccc3)=[N](c1c(cccc1C(C)C)C(C)C)[Ga]1([N]=2c2c(cccc2C(C)C)C(C)C)OC2=C(O[Ga]3(O1)[N](=C1C(c4c5c1cccc5ccc4)=[N]3c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1c3c2cccc3ccc1
• Title of publication: Ligand "Brackets" for Ga-Ga Bond.
• Authors of publication: Fedushkin, Igor L.; Skatova, Alexandra A.; Dodonov, Vladimir A.; Yang, Xiao-Juan; Chudakova, Valentina A.; Piskunov, Alexander V.; Demeshko, Serhiy; Baranov, Evgeny V.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 9047 - 9056
• a: 23.8688 ± 0.0004 Å
• b: 14.9155 ± 0.0003 Å
• c: 22.1366 ± 0.0004 Å
• α: 90°
• β: 117.365 ± 0.004°
• γ: 90°
• Cell volume: 6999.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.0436
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections included in the refinement: 0.09
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No