Information card for entry 4350392

Structure parameters

• Formula: C8 H22 N2 O15.5 P2 V2
• Calculated formula: C8 H16 N2 O15 P2 V2
• Title of publication: Two mixed-valence vanadium(III,IV) phosphonoacetates with 16-ring channels: H2(DABCO)[V(IV)O(H2O)V(III)(OH)(O3PCH2CO2)2].2.5H2O and H2(PIP)[V(IVO)(H2O)V(III)(OH)(O3PCH2CO2)2].2.5H2O.
• Authors of publication: Zhang, Xian-Ming; Hou, Juan-Juan; Zhang, Wei-Xiong; Chen, Xiao-Ming
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 20
• Pages of publication: 8120 - 8125
• a: 7.0465 ± 0.0009 Å
• b: 15.646 ± 0.002 Å
• c: 17.396 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1917.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 52
• Hermann-Mauguin space group symbol: P n n a
• Hall space group symbol: -P 2a 2bc
• Residual factor for all reflections: 0.1083
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.202
• Weighted residual factors for all reflections included in the refinement: 0.2288
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No