Information card for entry 2219549

Structure parameters

• Chemical name: Hemipiperazinediium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')gallate(III) pyridine-2,6-dicarboxylic acid dihydrate
• Formula: C23 H21 Ga N4 O14
• Calculated formula: C23 H21 Ga N4 O14
• Title of publication: Hemipiperazinediium bis(pyridine-2,6-dicarboxylato-κ^3^<i>O</i>,<i>N</i>,<i>O</i>')gallate(III) pyridine-2,6-dicarboxylic acid dihydrate
• Authors of publication: Rafizadeh, Masoud; Nemati, Andya; Derikvand, Zohreh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 10
• Pages of publication: m1298 - m1299
• a: 8.6434 ± 0.0004 Å
• b: 11.8582 ± 0.0005 Å
• c: 13.7907 ± 0.0006 Å
• α: 65.7151 ± 0.001°
• β: 80.0391 ± 0.001°
• γ: 86.915 ± 0.0011°
• Cell volume: 1268.75 ± 0.1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0467
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes