Information card for entry 8102045

Structure parameters

• Chemical name: bis(5-ammonioisophthalic acid) sulfate dihydrate
• Formula: C16 H20 N2 O14 S
• Calculated formula: C16 H20 N2 O14 S
• Title of publication: Crystal structure of bis(5-ammonioisophthalic acid) sulfate dihydrate, (C~8~H~8~NO~4~)~2~[SO~4~] · 2H~2~O
• Authors of publication: Wang, G.-X.; Zhang, Q.-W.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2006
• Journal volume: 221
• Journal issue: 4
• Pages of publication: 453 - 454
• a: 22.9226 ± 0.0006 Å
• b: 27.208 ± 0.0008 Å
• c: 6.555 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4088.21 ± 0.17 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.1382
• Residual factor for significantly intense reflections: 0.0829
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1765
• Goodness-of-fit parameter for all reflections included in the refinement: 1.224
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No