Information card for entry 4338976

Structure parameters

• Formula: C60 H88 Ga2 N4 Zn
• Calculated formula: C60 H88 Ga2 N4 Zn
• SMILES: [Zn]([Ga]1(C)[N](=C(C)C=C(C)N1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Ga]1([N](=C(C=C(C)N1c1c(C(C)C)cccc1C(C)C)C)c1c(C(C)C)cccc1C(C)C)C
• 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: 11.29 ± 0.002 Å
• b: 17.51 ± 0.003 Å
• c: 29.728 ± 0.005 Å
• α: 90°
• β: 96.638 ± 0.015°
• γ: 90°
• Cell volume: 5837.5 ± 1.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 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: 0.1064
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.0908
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 0.954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No