Information card for entry 4300181

Structure parameters

• Formula: C2 N3 Na
• Calculated formula: C2 N3 Na
• SMILES: C(#N)[N-]C#N.[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: 6.5015 ± 0.0005 Å
• b: 14.951 ± 0.002 Å
• c: 3.605 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 350.42 ± 0.06 ų
• Number of distinct elements: 3
• Space group number: 62
• Hermann-Mauguin space group symbol: P b n m
• Hall space group symbol: -P 2c 2ab
• Goodness-of-fit parameter for all reflections: 1.27
• Method of determination: powder diffraction
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes