Information card for entry 2211486

Structure parameters

• Common name: (H3tpa)2(HPO4)(ClO4)4,2H2O
• Chemical name: bis[2,2',2''-(nitrilotrimethylene)tripyridinium] hydrogenphosphate tetrakis(perchlorate) dihydrate
• Formula: C36 H47 Cl4 N8 O22 P
• Calculated formula: C36 H47 Cl4 N8 O22 P
• Title of publication: Hydrogen bonding in 2,2',2''-(nitrilotrimethylene)tripyridinium hydrogenphosphate tetrakis(perchlorate) dihydrate and related compounds
• Authors of publication: Hazell, Alan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: o5941 - o5943
• a: 16.1366 ± 0.0007 Å
• b: 12.8104 ± 0.0006 Å
• c: 23.832 ± 0.001 Å
• α: 90°
• β: 100.988 ± 0.001°
• γ: 90°
• Cell volume: 4836.1 ± 0.4 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes