Information card for entry 7200656

Structure parameters

• Common name: tetraaquanickel(II)-4,4'-bipyridine barbiturate hexahydrate
• Chemical name: tetraaquanickel(II)-4,4'-bipyridine barbiturate hexahydrate
• Formula: C18 H34 N6 Ni O16
• Calculated formula: C18 H34 N6 Ni O16
• Title of publication: An intriguing hydrogen bond arrangement of polymeric 1D chains of 4,4′-bipyridine coordinated to Co2+, Ni2+, Cu2+ and Zn2+ ions having barbiturate as counterions in a 3D network
• Authors of publication: Garcia, Humberto C.; Diniz, Renata; Yoshida, Maria I.; de Oliveira, Luiz Fernando C.
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 5
• Pages of publication: 881
• a: 11.453 ± 0.002 Å
• b: 11.453 ± 0.002 Å
• c: 36.912 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4193.1 ± 1.1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 179
• Hermann-Mauguin space group symbol: P 65 2 2
• Hall space group symbol: P 65 2 (0 0 1)
• Residual factor for all reflections: 0.0773
• Residual factor for significantly intense reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.115
• Weighted residual factors for all reflections included in the refinement: 0.1284
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No