Information card for entry 2013885

Structure parameters

• Common name: barium nitroprusside trihydrate
• Chemical name: barium pentacyanonitrosylferrate trihydrate
• Formula: C5 H6 Ba Fe N6 O4
• Calculated formula: C5 H6 Ba Fe N6 O4
• Title of publication: A new crystal phase of barium nitroprusside trihydrate studied by neutron diffraction at 20K
• Authors of publication: Chevrier, G.; Kiat, J. M.; Güida, J. A.; Navaza, A.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 3
• Pages of publication: i27 - i29
• a: 37.91 ± 0.07 Å
• b: 7.694 ± 0.007 Å
• c: 8.705 ± 0.009 Å
• α: 90.03 ± 0.01°
• β: 90.086 ± 0.007°
• γ: 90.146 ± 0.002°
• Cell volume: 2539 ± 6 ų
• Cell temperature: 20 ± 2 K
• Ambient diffraction temperature: 20 ± 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: 0.0797
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for all reflections: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0722
• Goodness-of-fit parameter for all reflections: 3.236
• Goodness-of-fit parameter for all reflections included in the refinement: 3.441
• Diffraction radiation probe: neutron
• Diffraction radiation wavelength: 1.548 Å
• Diffraction radiation type: neutron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No