Information card for entry 4000234

Structure parameters

• Formula: C2 H11 F3 N2 O3 P V
• Calculated formula: C2 H11 F3 N2 O3 P V
• Title of publication: Hydrothermal Synthesis, Crystal Structures, Spectroscopic, and Magnetic Properties of Two New Organically Templated Monodimensional Phosphite Compounds: (C2H10N2)[M(HPO3)F3], M = V(III) and Cr(III)}
• Authors of publication: Fernández, Sergio; Mesa, José L.; Pizarro, José L.; Lezama, Luis; Arriortua, María I.; Rojo, Teófilo
• Journal of publication: Chemistry of Materials
• Year of publication: 2003
• Journal volume: 15
• Journal issue: 5
• Pages of publication: 1204 - 1209
• a: 12.809 ± 0.002 Å
• b: 9.518 ± 0.0014 Å
• c: 6.4403 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 785.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.1695
• Residual factor for significantly intense reflections: 0.0603
• Weighted residual factors for significantly intense reflections: 0.1064
• Weighted residual factors for all reflections included in the refinement: 0.1262
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No