Information card for entry 7116344

Structure parameters

• Formula: C88 H128 Ga2 N6 O5
• Calculated formula: C88 H120 Ga2 N6 O6
• SMILES: C1(=C(C)N([Ga](N1c1c(cccc1C(C)C)C(C)C)(N1c2ccccc2N(c2ccccc12)[Ga]1([N](C(=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)[O]1CCCC1)[O]1CCCC1)c1c(cccc1C(C)C)C(C)C)C.O1CCCC1.O1CCCC1.O1CCCC1
• Title of publication: Gallium complexes with alpha-diimine and phenazine in various reduced states
• Authors of publication: Yanxia Zhao; Yanyan Liu; Zeyi Wang; Wenhua Xu; Bin Liu; Ji-Hu Su; Biao Wu; Xiao-Juan Yang
• Journal of publication: Chem.Commun.
• Year of publication: 2015
• Journal volume: 51
• Pages of publication: 1237
• a: 11.056 ± 0.004 Å
• b: 24.846 ± 0.009 Å
• c: 15.591 ± 0.006 Å
• α: 90°
• β: 92.912 ± 0.006°
• γ: 90°
• Cell volume: 4277 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• 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: 0.0994
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1345
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No