Information card for entry 7116343

Structure parameters

• Formula: C68 H110 Cl2 Ga2 N4 Na2 O3
• Calculated formula: C68 H100 Cl2 Ga2 N4 Na2 O3
• SMILES: CC1=[N](c2c(cccc2C(C)C)C(C)C)[Ga]([Cl]2[Na]([O](CC)CC)[Cl]([Na]2[O](CC)CC)[Ga]2[N](=C(C)C(=[N]2c2c(C(C)C)cccc2C(C)C)C)c2c(C(C)C)cccc2C(C)C)[N](=C1C)c1c(cccc1C(C)C)C(C)C.O(CC)CC
• 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: 22.583 ± 0.003 Å
• b: 14.5431 ± 0.0019 Å
• c: 22.793 ± 0.004 Å
• α: 90°
• β: 106.309 ± 0.004°
• γ: 90°
• Cell volume: 7184.6 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.2534
• Residual factor for significantly intense reflections: 0.0991
• Weighted residual factors for significantly intense reflections: 0.2567
• Weighted residual factors for all reflections included in the refinement: 0.3274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.98
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No