Information card for entry 1100340

Structure parameters

• Formula: C13 H21 N2 Na O5
• Calculated formula: C13 H21 N2 Na O5
• SMILES: C1C[O]2CC[O]3CC[O]4CC[O]5CC[O]1[Na]2345N=C=CC#N
• Title of publication: Die Kristallstrukturen von {Li~3~(12-Krone-4)~2~[HC(CN)~2~]~3~}, {Na(15-Krone-5)-[HC(CN)~2~]} und {Na[N(nBu)~4~][HC(CN)~2~]~2~ · THF}
• Authors of publication: Hiller, Wolfgang; Frey, Stephanie; Strähle, Joachim; Boche, Gernot; Zarges, Wolfgang; Harms, Klaus; Marsch, Michael; Wollert, René; Dehnicke, Kurt
• Journal of publication: Chemische Berichte
• Year of publication: 1992
• Journal volume: 125
• Journal issue: 1
• Pages of publication: 87 - 92
• a: 7.345 ± 0.001 Å
• b: 14.108 ± 0.001 Å
• c: 7.785 ± 0.001 Å
• α: 90°
• β: 95.065 ± 0.004°
• γ: 90°
• Cell volume: 803.56 ų
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No