Information card for entry 4504184

Structure parameters

• Formula: C40 H44 Cu2 F8 N8 O4 V2
• Calculated formula: C40 H44 Cu2 F8 N8 O4 V2
• Title of publication: Effects of Reaction Gel Dehydration on the Synthesis of Cu(NC5H5)4VOF4and [Cu(NC5H5)4VOF4][Cu(NC5H5)4(H2O)VOF4]·H2O
• Authors of publication: Welk, Margaret E.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.; Norquist, Alexander J.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 5
• Pages of publication: 956
• a: 9.5464 ± 0.0007 Å
• b: 17.0621 ± 0.0011 Å
• c: 14.0941 ± 0.001 Å
• α: 90°
• β: 105.456 ± 0.001°
• γ: 90°
• Cell volume: 2212.6 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0624
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for all reflections: 0.0818
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0764
• Goodness-of-fit parameter for all reflections included in the refinement: 0.8623
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No