Information card for entry 2211286

Structure parameters

• Chemical name: Bis(piperazinium) bis(dihydrogenphosphato)tetra-μ~2~-hydrogenphosphato- di-μ~3~-hydroxo-di-μ~3~-phosphato-tetragallate(III)
• Formula: C12 H46 Ga4 N6 O34 P8
• Calculated formula: C12 H46 Ga4 N6 O34 P8
• SMILES: [Ga]1234([O]=P56O[Ga]789(OP%10(=[O]4)O[Ga]4%11%12(OP%13(O[Ga]%14([OH]9%11)(O%10)(OP(=O)(O[Ga]([O]=P9%10O[Ga]%11%15([OH]3[Ga]3(O9)(O5)(OP(=O)(O1)O)OP(=O)(O[Ga](O%10)(OP(=O)(O%11)O)(OP(=O)(O)O)[OH]%153)O)(O6)OP(=O)(O2)O)(O%13)(OP(O)(=O)O)(OP(=O)(O4)O)[OH]%12%14)O)OP(=O)(O8)O)=O)OP(=O)(O7)O)OP(=O)(O)O)OP(=O)(O)O.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1.[NH2+]1CC[NH2+]CC1
• Title of publication: (C~4~H~12~N~2~)~3~[Ga~4~(OH)~2~(H~2~PO~4~)~2~(HPO~4~)~4~(PO~4~)~2~]: a new organically templated gallium phosphate
• Authors of publication: Chia-Her Lin; Sue-Lein Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3289 - m3290
• a: 6.2754 ± 0.0003 Å
• b: 13.0604 ± 0.0005 Å
• c: 13.6268 ± 0.0006 Å
• α: 117.208 ± 0.001°
• β: 98.796 ± 0.001°
• γ: 93.053 ± 0.001°
• Cell volume: 971.9 ± 0.07 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0286
• Weighted residual factors for significantly intense reflections: 0.0764
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No