Information card for entry 1564183

Structure parameters

• Chemical name: potassium pentacyanonitrosylchromate(I) dihydrate
• Formula: C5 H4 Cr K3 N6 O3
• Calculated formula: C5 H4 Cr K3 N6 O3
• Title of publication: Crystal structure and infrared and Raman spectra of K3[Cr(CN)5NO].2H2O, a member of an iconic family of complexes in coordination chemistry
• Authors of publication: Piro, Oscar E.; Echeverría, Gustavo A.; Navaza, Alda; Güida, Jorge A.
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2020
• Journal volume: 511
• Pages of publication: 119831
• a: 17.8379 ± 0.0006 Å
• b: 7.1589 ± 0.0002 Å
• c: 11.5293 ± 0.0004 Å
• α: 90°
• β: 118.005 ± 0.005°
• γ: 90°
• Cell volume: 1299.89 ± 0.09 ų
• Cell temperature: 297 ± 2 K
• Ambient diffraction temperature: 297 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0274
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.0671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No