Information card for entry 7209097

Structure parameters

• Chemical name: 2,2'-Bipyridine-5,5'-dicarboxylate.Bis(1,3,4,6,7,8-Hexahydro-2H-pyrimido[1,2-a] pyrimidinium)
• Formula: C13 H21 N4 O6.708
• Calculated formula: C13 H21 N4 O6.71
• Title of publication: A supramolecular 2 : 1 guanidinium‒carboxylate based building block for generation of water channels and clusters in organic materials
• Authors of publication: Yadav, Vitthal N.; Görbitz, Carl Henrik
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 3
• Pages of publication: 439
• a: 32.122 ± 0.017 Å
• b: 15.681 ± 0.008 Å
• c: 7.105 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3579 ± 3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 4
• Space group number: 53
• Hermann-Mauguin space group symbol: P m n a
• Hall space group symbol: -P 2ac 2
• Residual factor for all reflections: 0.1259
• Residual factor for significantly intense reflections: 0.0632
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1995
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No