Information card for entry 4504752

Structure parameters

• Formula: C14 H30 Cu Mo0.5 N8 O3
• Calculated formula: C14 H30 Cu Mo0.5 N8 O3
• Title of publication: A Self-Assembled, Decameric Water Cluster Stabilized by a Cyano-Bridged Copper(II) Complex
• Authors of publication: Mukhopadhyay, Uday; Bernal, Ivan
• Journal of publication: Crystal Growth & Design
• Year of publication: 2006
• Journal volume: 6
• Journal issue: 2
• Pages of publication: 363
• a: 20.735 ± 0.005 Å
• b: 9.323 ± 0.003 Å
• c: 20.978 ± 0.005 Å
• α: 90°
• β: 95.8 ± 0.04°
• γ: 90°
• Cell volume: 4034.5 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0421
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.062
• Weighted residual factors for all reflections included in the refinement: 0.0673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No