Information card for entry 4321965

Structure parameters

• Chemical name: Bis(diprotonated1,4-diazabicyclo(2.2.2)octane)vanadyl(IV)tetra(hydrogen phosphate)hydrogenboratetetrahydrate
• Formula: C12 H41 B3 N4 O25 P4 V
• Calculated formula: C12 H33 B3 N4 O24.682 P4 V
• Title of publication: Synthesis and Characterization of a Borophosphate Anion Containing a Single Vanadium Atom: [N~2~C~6~H~14~]~2~[VO(PO~3~OH)~4~(B~3~O~3~OH)]4H~2~O
• Authors of publication: Ranko P. Bontchev; Junghwan Do; Allan J. Jacobson
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2231 - 2233
• a: 16.6625 ± 0.001 Å
• b: 10.613 ± 0.0006 Å
• c: 17.8888 ± 0.001 Å
• α: 90°
• β: 100.83 ± 0.001°
• γ: 90°
• Cell volume: 3107.1 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.053
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for all reflections: 0.0976
• Weighted residual factors for significantly intense reflections: 0.0907
• Goodness-of-fit parameter for all reflections: 1.056
• Goodness-of-fit parameter for significantly intense reflections: 1.095
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No