Information card for entry 4000020

Structure parameters

• Formula: C40 H43 Cu2 F8 N8 Nb O2
• Calculated formula: C40 H40 Cu F4.5 N8 Nb0.25 O2.5
• Title of publication: Synthesis of the Neutral (CuF(NC~5~H~5~)~4~)~2~NbOF~5~ Cluster
• Authors of publication: Norquist, Alexander J.; Welk, Margaret E.; Stern, Charlotte L.; Poeppelmeier, Kenneth R.
• Journal of publication: Chemistry of Materials
• Year of publication: 2000
• Journal volume: 12
• Journal issue: 7
• Pages of publication: 1905 - 1909
• a: 24.691 ± 0.001 Å
• b: 24.691 ± 0.001 Å
• c: 14.556 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8873.5 ± 0.9 ų
• Cell temperature: 153.2 K
• Ambient diffraction temperature: 153.2 K
• Number of distinct elements: 7
• Space group number: 142
• Hermann-Mauguin space group symbol: I 41/a c d :2
• Hall space group symbol: -I 4bd 2c
• Residual factor for all reflections: 0.0515
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.042
• Goodness-of-fit parameter for all reflections: 1.401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.4
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No