Information card for entry 4077868

Structure parameters

• Formula: C92 H152 N4 Na2 O14 Zn2
• Calculated formula: C92 H152 N4 Na2 O14 Zn2
• SMILES: C1(=C(C)N([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)c1c(C(C)C)cccc1C(C)C)C.[Na]1234([O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5)([O]1CCCC1)[O]1CCCC1.[Na]1234([O]5CC[O]1CC[O]2CC[O]3CC[O]4CC5)([O]1CCCC1)[O]1CCCC1
• 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: 13.0441 ± 0.0014 Å
• b: 13.3198 ± 0.0015 Å
• c: 14.0108 ± 0.0015 Å
• α: 79.51 ± 0.001°
• β: 76.093 ± 0.001°
• γ: 86.026 ± 0.002°
• Cell volume: 2322.6 ± 0.4 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: 0.0732
• Residual factor for significantly intense reflections: 0.0619
• Weighted residual factors for significantly intense reflections: 0.1632
• Weighted residual factors for all reflections included in the refinement: 0.1745
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No