Information card for entry 4503078

Structure parameters

• Formula: C15 H27 Cu2 Mo N3 O S3
• Calculated formula: C15 H27 Cu2 Mo N3 O S3
• Title of publication: Binuclear Cluster-to-Cluster-Based Supramolecular Compounds: Design, Assembly, and Enhanced Third-Order Nonlinear Optical Performances of {[Et4N]2[MoOS3Cu2(μ-CN)]2·2aniline}nand {[Et4N]4[MoOS3Cu3CN(μ′-CN)]2(μ-CN)2}n
• Authors of publication: Zhang, Wen-Hua; Song, Ying-Lin; Zhang, Yong; Lang, Jian-Ping
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 253
• a: 12.908 ± 0.003 Å
• b: 16.105 ± 0.003 Å
• c: 11.332 ± 0.002 Å
• α: 90°
• β: 115.88 ± 0.03°
• γ: 90°
• Cell volume: 2119.5 ± 0.9 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0726
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.165
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No