Information card for entry 7239069

Structure parameters

• Formula: C46 H50 N8 Ni O2 S4
• Calculated formula: C46 H50 N8 Ni O2 S4
• Title of publication: Importance of alkyl chain-length on the self-assembly of new Ni(qdt)2 complexes and charge transport properties
• Authors of publication: Yang, Xiong-Bo; Zhou, Li; Huang, Long-Biao; Xu, Jia-Ju; Zhou, Ye; Han, Su-Ting; Xu, Zong-Xiang; Lau, Victor C. Y.; Hon-Wah Lam, Micheal; Wong, Wai-Yeung; Roy, V. A. L.
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 30
• Pages of publication: 12075
• a: 8.1895 ± 0.0002 Å
• b: 8.5987 ± 0.0003 Å
• c: 16.7988 ± 0.0005 Å
• α: 92.215 ± 0.002°
• β: 102.812 ± 0.002°
• γ: 105.961 ± 0.002°
• Cell volume: 1102.75 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0435
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.1202
• Weighted residual factors for all reflections included in the refinement: 0.1217
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No