Information card for entry 8100191

Structure parameters

• Formula: C30 H40 N2 Na2 O10 S2
• Calculated formula: C30 H40 N2 Na2 O10 S2
• SMILES: [Na]12345([N](=C=S)[Na]6789([N]5=C=S)[O]5c%10ccccc%10[O]6CC[O]7CC[O]8CC[O]9CC5)[O]5c6ccccc6[O]1CC[O]2CC[O]3CC[O]4CC5
• Title of publication: Crystal structure of bis(benzo-1,4,7,10,13-pentaoxacyclopentadec-2- ene)bis(thiocyanato)disodium(I), Na~2~(SCN)~2~(C~14~H~20~O~5~)~2~, a benzo-15-crown-5 complex
• Authors of publication: He, Yuan; Li, Da-Cheng; Liu, Ying; Dou, Jian-Min; Wang, Da-Qi
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2004
• Journal volume: 219
• Journal issue: 4
• Pages of publication: 411 - 412
• a: 17.708 ± 0.005 Å
• b: 11.236 ± 0.003 Å
• c: 17.821 ± 0.005 Å
• α: 90°
• β: 106.816 ± 0.004°
• γ: 90°
• Cell volume: 3393.9 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No