Information card for entry 2228759

Structure parameters

• Chemical name: Bis(1-phenylbiguanidium) hexanedioate tetrahydrate
• Formula: C22 H40 N10 O8
• Calculated formula: C22 H40 N10 O8
• SMILES: C(=NC(=[NH2+])N)(Nc1ccccc1)N.C(=O)([O-])CCCCC(=O)[O-].O.O.C(=NC(=[NH2+])N)(Nc1ccccc1)N.O.O
• Title of publication: Bis(2-phenylbiguanidium) adipate tetrahydrate
• Authors of publication: Matulková, Irena; Císařová, Ivana; Němec, Ivan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: o118 - o119
• a: 7.156 ± 0.0001 Å
• b: 10.867 ± 0.0002 Å
• c: 11.141 ± 0.0002 Å
• α: 61.559 ± 0.0009°
• β: 88.682 ± 0.001°
• γ: 71.702 ± 0.001°
• Cell volume: 714.93 ± 0.02 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0391
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes