Information card for entry 2008850

Structure parameters

• Chemical name: bis(N,N'-diphenylguanidinium) oxalate
• Formula: C28 H28 N6 O4
• Calculated formula: C28 H28 N6 O4
• SMILES: C(=[NH2+])(Nc1ccccc1)Nc1ccccc1.[O-]C(=O)C(=O)[O-].C(=[NH2+])(Nc1ccccc1)Nc1ccccc1
• Title of publication: Bis(<i>N</i>,<i>N</i>'-diphenylguanidinium) oxalate
• Authors of publication: Paixão, J. A.; Matos Beja, A.; Ramos Silva, M.; Alte da Veiga, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 8
• Pages of publication: 1290 - 1292
• a: 19.784 ± 0.009 Å
• b: 11.101 ± 0.009 Å
• c: 12.384 ± 0.004 Å
• α: 90°
• β: 106.59 ± 0.02°
• γ: 90°
• Cell volume: 2607 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.087
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections included in the refinement: 0.095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes