Information card for entry 4329245

Structure parameters

• Formula: C54 H72 N4
• Calculated formula: C54 H72 N4
• SMILES: C1(/C=C(/C(C=C1Nc1c(cccc1C(C)C)C(C)C)=N/c1c(cccc1C(C)C)C(C)C)Nc1c(cccc1C(C)C)C(C)C)=N/c1c(cccc1C(C)C)C(C)C
• 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: 10.462 ± 0.004 Å
• b: 10.776 ± 0.004 Å
• c: 12.431 ± 0.005 Å
• α: 111.109 ± 0.004°
• β: 99.229 ± 0.004°
• γ: 94.722 ± 0.004°
• Cell volume: 1275.5 ± 0.9 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0995
• Residual factor for significantly intense reflections: 0.079
• Weighted residual factors for significantly intense reflections: 0.1819
• Weighted residual factors for all reflections included in the refinement: 0.1944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No