Information card for entry 4508688

Structure parameters

• Formula: C8 H12 Cu2 Mo N12
• Calculated formula: C8 H12 Cu2 Mo N12
• Title of publication: Crystal Structure and Nonlinear Optical Effect of a Pyroelectric Crystal Composed of a Cyano-Bridged Cu−Mo Assembly
• Authors of publication: Hozumi, Toshiya; Nuida, Tomohiro; Hashimoto, Kazuhito; Ohkoshi, Shin-ichi
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 8
• Pages of publication: 1736
• a: 16.388 ± 0.008 Å
• b: 23.059 ± 0.009 Å
• c: 9.008 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3404 ± 3 ų
• Cell temperature: 296.1 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for all reflections included in the refinement: 0.0409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No