Information card for entry 7029169

Structure parameters

• Formula: C6.33 H18.67 Cl0.67 F3 Nb O3 P2
• Calculated formula: C6.33333 H18.6667 Cl0.666667 F3 Nb O3 P2
• Title of publication: Synthesis, properties and structures of NbOF3 complexes and comparisons with NbOCl3 analogues.
• Authors of publication: Levason, William; Reid, Gillian; Trayer, Jonathan; Zhang, Wenjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 9
• Pages of publication: 3649 - 3659
• a: 7.889 ± 0.0015 Å
• b: 14.584 ± 0.003 Å
• c: 20.046 ± 0.004 Å
• α: 102.497 ± 0.004°
• β: 99.803 ± 0.004°
• γ: 97.324 ± 0.002°
• Cell volume: 2186.2 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0847
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No