Information card for entry 2204358

Structure parameters

• Chemical name: catena-Poly[bis[oxo(1,10-phenanthroline)vanadium(IV)]-di-μ-hydrogenphosphato]
• Formula: C24 H18 N4 O10 P2 V2
• Calculated formula: C24 H18 N4 O10 P2 V2
• SMILES: [V]123(=O)([n]4cccc5ccc6ccc[n]3c6c45)[O]=P3(O)O[V]4(=O)([n]5cccc6ccc7ccc[n]4c7c56)OP(=O)(O)O[V]4(=O)(O3)([n]3cccc5ccc6ccc[n]4c6c35)[O]=P(O)(O2)O[V]2(=O)([n]3cccc4ccc5ccc[n]2c5c34)OP(O)(O1)=O
• Title of publication: <i>catena</i>-Poly[[oxo(1,10-phenanthroline)vanadium(IV)]-di-μ-hydrogenphosphato]
• Authors of publication: Fu, Yun-Long; Ren, Jia-Lin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 10
• Pages of publication: m1542 - m1543
• a: 9.815 ± 0.002 Å
• b: 6.372 ± 0.001 Å
• c: 9.919 ± 0.002 Å
• α: 90°
• β: 102.753 ± 0.004°
• γ: 90°
• Cell volume: 605 ± 0.2 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• 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: 0.1203
• Residual factor for significantly intense reflections: 0.0637
• Weighted residual factors for significantly intense reflections: 0.1497
• Weighted residual factors for all reflections included in the refinement: 0.2241
• Goodness-of-fit parameter for all reflections included in the refinement: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes