Information card for entry 4321368

Structure parameters

• Chemical name: Ammoniumdiprotonated1,4-diaminobutanebis(pentaaquostrontium)tetraaquo strontiumdodecavanadyl(IV)hexaborododecaphosphate decahydrate
• Formula: C18 H123 B6 N12 O96 P12 Sr3 V12
• Calculated formula: C2.19333 H4.66667 B N1.34 O17.2 P2 Sr0.5 V2
• Title of publication: Influence of Hydrogen Bonding on the Assembly of Six-Membered Vanadium Borophosphate Cluster Anions: Synthesis and Structures of (NH~4~)~2~(C~2~H~10~N~2~)~6~[Sr(H~2~O)~5~]~2~[V~2~P~2~BO~12~ ]~6~10H~2~O, (NH~4~)~2~(C~3~H~12~N~2~)~6~[Sr(H~2~O)~4~]~2~ [V~2~P~2~BO~12~]~6~17H~2~O, (NH~4~)~3~(C~2~H~10~N~2~)~4.5~ [Sr(H~2~O)~5~]~2~[Sr(H~2~O)~4~][V~2~P~2~BO~12~]~6~10H~2~O
• Authors of publication: Junghwan Do; Ranko P. Bontchev; Allan J. Jacobson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 4305 - 4310
• a: 39.364 ± 0.002 Å
• b: 14.0924 ± 0.0007 Å
• c: 25.3424 ± 0.0013 Å
• α: 90°
• β: 121.259 ± 0.001°
• γ: 90°
• Cell volume: 12017.4 ± 1.1 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0595
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for all reflections: 0.155
• Weighted residual factors for significantly intense reflections: 0.1493
• Goodness-of-fit parameter for all reflections: 1.063
• 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