Information card for entry 4077869

Structure parameters

• Formula: C112 H192 K2 N4 O24 Zn2
• Calculated formula: C112 H192 K2 N4 O24 Zn2
• SMILES: C1(=C(C)N(c2c(C(C)C)cccc2C(C)C)[Zn](N1c1c(cccc1C(C)C)C(C)C)[Zn]1N(C(=C(C)N1c1c(cccc1C(C)C)C(C)C)C)c1c(cccc1C(C)C)C(C)C)C.[K]12345678([O]9CC[O]1CC[O]2CC[O]3CC[O]4CC9)[O]1CC[O]5CC[O]6CC[O]7CC[O]8CC1.C1CCCO1.C1CCCO1.[K]12345678([O]9CC[O]1CC[O]2CC[O]3CC[O]4CC9)[O]1CC[O]5CC[O]6CC[O]7CC[O]8CC1.C1CCCO1.C1CCCO1
• Title of publication: Reactions of α-Diimine-Stabilized Zn‒Zn-Bonded Compounds with Phenylacetylene
• Authors of publication: Gao, Jing; Li, Shaoguang; Zhao, Yanxia; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 8
• Pages of publication: 2978
• a: 13.277 ± 0.003 Å
• b: 14.628 ± 0.003 Å
• c: 16.393 ± 0.003 Å
• α: 100.071 ± 0.004°
• β: 100.134 ± 0.004°
• γ: 101.4 ± 0.004°
• Cell volume: 2998.9 ± 1.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1232
• Residual factor for significantly intense reflections: 0.0696
• Weighted residual factors for significantly intense reflections: 0.1774
• Weighted residual factors for all reflections included in the refinement: 0.2209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No