Information card for entry 2013520

Structure parameters

• Common name: baryum nitroprusside trihydrate
• Formula: C5 H6 Ba Fe N6 O4
• Calculated formula: C5 H6 Ba Fe N6 O4
• Title of publication: An ordered low-temperature phase of barium nitroprusside trihydrate studied by neutron diffraction
• Authors of publication: G. Chevrier; J.M. Kiat; J. Guida; A. Navaza
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 7
• Pages of publication: i59 - i62
• a: 19.01 ± 0.09 Å
• b: 7.694 ± 0.016 Å
• c: 8.72 ± 0.02 Å
• α: 90.04 ± 0.003°
• β: 90.003 ± 0.005°
• γ: 89.994 ± 0.005°
• Cell volume: 1275 ± 7 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0843
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0874
• Goodness-of-fit parameter for all reflections included in the refinement: 3.748
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.548 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No