Information card for entry 7705692

Structure parameters

• Chemical name: Sodium nitrotetrazolate tetrahydrate
• Formula: C H8 N5 Na O6
• Calculated formula: C H8 N5 Na O6
• Title of publication: Synthesis and characterization of the mixed-ligand coordination polymer Cu₃Cl(N₄C-NO₂)₂.
• Authors of publication: Westwater, Bradley; Lloyd, Hayleigh J.; Vitorica-Yrezabal, Inigo J; Fong, Angela; McMaster, Patrick; Sloan, Martin; Coaker, Brian M.; Pulham, Colin R.; Portius, Peter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 42
• Pages of publication: 14975 - 14984
• a: 17.7189 ± 0.001 Å
• b: 3.5053 ± 0.0002 Å
• c: 13.3457 ± 0.0008 Å
• α: 90°
• β: 100.282 ± 0.002°
• γ: 90°
• Cell volume: 815.59 ± 0.08 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 99.97 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0408
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0993
• Weighted residual factors for all reflections included in the refinement: 0.1004
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No