Information card for entry 4503248

Structure parameters

• Formula: C18 H36 Cu3 N3 S4 W
• Calculated formula: C18 H36 Cu3 N3 S4 W
• Title of publication: A Single-Bridge Strategy for Synthesis of a 3-D Heterobimetallic Cluster with a Heavily Distorted Diamondoid Topology and Enhanced Third-Order Nonlinear Optical Properties
• Authors of publication: Zhang, Jinfang; Song, Yinglin; Yang, Junyi; Humphrey, Mark G.; Zhang, Chi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 2
• Pages of publication: 387
• a: 10.9115 ± 0.0015 Å
• b: 10.9115 ± 0.0015 Å
• c: 23.638 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2814.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.1274
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.122
• Weighted residual factors for all reflections included in the refinement: 0.1516
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No