Information card for entry 2200249

Structure parameters

• Common name: [2(Fopygu.2HCl)][trans-Ni(H2O)4Cl2]*4H2O
• Chemical name: Bis(2-pyridiniomethyleneaminoguanidinium) trans-tetraaquadichloronickel(II) dichloride tetrahydrate
• Formula: C14 H38 Cl6 N10 Ni O8
• Calculated formula: C14 H38 Cl6 N10 Ni O8
• SMILES: c1(cccc[nH+]1)/C=N/NC(=[NH2+])N.[OH2][Ni](Cl)([OH2])([OH2])([OH2])Cl.O.O.[Cl-].[Cl-].c1(cccc[nH+]1)/C=N/NC(=[NH2+])N.O.O.[Cl-].[Cl-]
• Title of publication: Bis(2-pyridiniomethyleneaminoguanidinium) <i>trans</i>-tetraaquadichloronickel(II) dichloride tetrahydrate
• Authors of publication: Valdés-Martínez, Jesús; Alstrum-Acevedo, James H.; Toscano, Rubén A.; Espinosa-Pérez, Georgina; Helfrich, Brian A.; West, Douglas X.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 4
• Pages of publication: m137 - m139
• a: 24.698 ± 0.004 Å
• b: 7.106 ± 0.001 Å
• c: 18.538 ± 0.002 Å
• α: 90°
• β: 99.59 ± 0.01°
• γ: 90°
• Cell volume: 3208 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.097
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No