Information card for entry 7114886

Structure parameters

• Formula: C59 H66 Cu6 I3 Mo2 N11 O4 S6
• Calculated formula: C59.42 H60.42 Cu6 I3 Mo2 N11 O4 S6
• Title of publication: Synthesis of a 2D polymeric cluster {[NEt4][Mo2O2S6Cu6I3(4,4′-bipy)5]·MeOH·H2O}n with a significant improvement of optical limiting effect
• Authors of publication: Zhang, Qian-Feng; Niu, Yunying; Xin, Xinquan; Leung, Wa-Hung; Williams, Ian D.; Song, Yinglin
• Journal of publication: Chemical Communications
• Year of publication: 2001
• Journal issue: 12
• Pages of publication: 1126
• a: 11.0329 ± 0.0001 Å
• b: 11.8242 ± 0.0002 Å
• c: 15.3874 ± 0.0002 Å
• α: 72.298 ± 0.001°
• β: 81.444 ± 0.001°
• γ: 84.862 ± 0.001°
• Cell volume: 1888.94 ± 0.05 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.1031
• Residual factor for significantly intense reflections: 0.0646
• Weighted residual factors for significantly intense reflections: 0.1571
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No