Information card for entry 4329252

Structure parameters

• Formula: C70 H110 Cl4 Li2 N4 O8 Zn2
• Calculated formula: C70 H110 Cl4 Li2 N4 O8 Zn2
• SMILES: c12N(c3c(cccc3C(C)C)C(C)C)[Zn](Cl)(N(c1cc1c(c2)N(c2c(cccc2C(C)C)C(C)C)[Zn](N1c1c(cccc1C(C)C)C(C)C)(Cl)[Cl][Li]12([O](C)CC[O]1C)[O](C)CC[O]2C)c1c(C(C)C)cccc1C(C)C)[Cl][Li]12([O](C)CC[O]1C)[O](C)CC[O]2C
• Title of publication: Alkali Metal and Zinc Complexes of a Bridging 2,5-Diamino-1,4-Benzoquinonediimine Ligand
• Authors of publication: Yuanting Su; Yanxia Zhao; Jing Gao; Qingsong Dong; Biao Wu; Xiao-Juan Yang
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5889 - 5896
• a: 13.105 ± 0.002 Å
• b: 18.571 ± 0.003 Å
• c: 17.111 ± 0.003 Å
• α: 90°
• β: 94.964 ± 0.002°
• γ: 90°
• Cell volume: 4148.7 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1268
• Residual factor for significantly intense reflections: 0.1043
• Weighted residual factors for significantly intense reflections: 0.3056
• Weighted residual factors for all reflections included in the refinement: 0.3243
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No