Information card for entry 4338978

Structure parameters

• Formula: C156 H154 B2 Cl2 F50 Ga2 N4 O4 Zn2
• Calculated formula: C156 H156 B2 Cl2 F50 Ga2 N4 O4 Zn2
• SMILES: [B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.C1(=CC(C)=[N]([Ga](N1c1c(C(C)C)cccc1C(C)C)([O]1CCCC1)[Zn]1([O]2CCCC2)[Cl][Zn]([Ga]2(N(C(=CC(C)=[N]2c2c(cccc2C(C)C)C(C)C)C)c2c(cccc2C(C)C)C(C)C)[O]2CCCC2)([O]2CCCC2)[Cl]1)c1c(cccc1C(C)C)C(C)C)C.Fc1ccccc1.c1ccccc1.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.Fc1ccccc1
• Title of publication: Synthesis and structure of new compounds with Zn-Ga bonds: insertion of the gallium(I) bisimidinate Ga(DDP) into Zn-X (X = CH3, Cl) and the homoleptic complex cation [Zn(GaCp*)4]2+.
• Authors of publication: Kempter, Andreas; Gemel, Christian; Cadenbach, Thomas; Fischer, Roland A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 22
• Pages of publication: 9481 - 9487
• a: 14.9889 ± 0.0015 Å
• b: 15.3966 ± 0.0015 Å
• c: 17.283 ± 0.002 Å
• α: 97.492 ± 0.009°
• β: 96.7 ± 0.009°
• γ: 95.653 ± 0.008°
• Cell volume: 3901.2 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2158
• Residual factor for significantly intense reflections: 0.0532
• Weighted residual factors for significantly intense reflections: 0.0692
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 0.568
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No