Information card for entry 7107605

Structure parameters

• Formula: C52 H56 B2 Cu8 N23 O4 S6 W2
• Calculated formula: C52 H56 B2 Cu8 N23 O4 S6 W2
• Title of publication: Activation and amplification of the third-order NLO and luminescent responses of a precursor cluster by a supramolecular approach
• Authors of publication: Xi Chen; Hong-Xi Li; Zhi-Yuan Zhang; Wei Zhao; Jian-Ping Lang; Brendan F. Abrahams
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 4480
• a: 26.2 ± 0.005 Å
• b: 16.905 ± 0.003 Å
• c: 19.395 ± 0.004 Å
• α: 90°
• β: 117.36 ± 0.03°
• γ: 90°
• Cell volume: 7629 ± 3 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0907
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1928
• Weighted residual factors for all reflections included in the refinement: 0.2058
• Goodness-of-fit parameter for all reflections included in the refinement: 1.198
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No