Information card for entry 1519003

Structure parameters

• Formula: C56 H60 Ga N2 O
• Calculated formula: C56 H60 Ga N2 O
• SMILES: [Ga]1([N](c2c(cccc2C(C)C)C(C)C)=C2C(=[N]1c1c(cccc1C(C)C)C(C)C)c1c3c2cccc3ccc1)(C#Cc1ccccc1)C#Cc1ccccc1.O(CC)CC
• Title of publication: Mononuclear dpp-Bian Gallium Complexes: Synthesis, Crystal Structures, and Reactivity toward Alkynes and Enones
• Authors of publication: Fedushkin, Igor L.; Kazarina, Olga V.; Lukoyanov, Anton N.; Skatova, Alexandra A.; Bazyakina, Natalia L.; Cherkasov, Anton V.; Palamidis, Eftimios
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1498
• a: 10.5177 ± 0.0004 Å
• b: 11.8367 ± 0.0004 Å
• c: 19.8797 ± 0.0007 Å
• α: 79.654 ± 0.003°
• β: 85.269 ± 0.003°
• γ: 85.892 ± 0.003°
• Cell volume: 2422.31 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0997
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.992
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No