Information card for entry 1546343

Structure parameters

• Chemical name: Catena-bis(mu3-Barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II)
• Formula: C8 H10 Ba N4 O8
• Calculated formula: C8 H10 Ba N4 O8
• Title of publication: Bis(mu3-barbiturato-O,O,O')-(mu2-aqua)-aqua-barium(II): Crystal structure, spectroscopic and thermal properties
• Authors of publication: L.A. Solovyov; N.N. Golovnev; M.S. Molokeev; M.K. Lesnikov
• Journal of publication: Journal of Coordination Chemistry
• Year of publication: 2017
• Journal volume: 70
• Journal issue: 12
• Pages of publication: 1984 - 1993
• a: 7.5017 ± 0.0003 Å
• b: 9.5304 ± 0.0012 Å
• c: 9.809 ± 0.0006 Å
• α: 65.533 ± 0.005°
• β: 74.971 ± 0.004°
• γ: 83.42 ± 0.005°
• Cell volume: 616.46 ± 0.09 ų
• Cell temperature: 295 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.014
• Residual factor R(I) for significantly intense reflections: 0.02224
• Goodness-of-fit parameter for all reflections: 1.13913
• Method of determination: powder diffraction
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.5406 Å
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No