Information card for entry 4300182

Structure parameters

• Formula: C6 N9 Na3
• Calculated formula: C6 N9 Na3
• SMILES: c1(nc(nc(n1)N=C=[N-])N=C=[N-])N=C=[N-].[Na+].[Na+].[Na+]
• Title of publication: Trimerization of NaC2N3 to Na3C6N9 in the Solid: Ab Initio Crystal Structure Determination of Two Polymorphs of NaC2N3 and of Na3C6N9 from X-ray Powder Diffractometry
• Authors of publication: Barbara Jürgens; Elisabeth Irran; Julius Schneider; Wolfgang Schnick
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 665 - 670
• a: 11.0482 ± 0.0001 Å
• b: 23.3806 ± 0.0003 Å
• c: 3.51616 ± 0.00003 Å
• α: 90°
• β: 97.9131 ± 0.0009°
• γ: 90°
• Cell volume: 899.623 ± 0.016 ų
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 3
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Goodness-of-fit parameter for all reflections: 0.8
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes