Information card for entry 2102833

Structure parameters

• Formula: C56 H62 Cu N4 O14 S2
• Calculated formula: C56 H62 Cu N4 O14 S2
• SMILES: c1c(ccc(c1)C)S1(=[O][Cu]234(N1c1ccccc1C=[N]2c1cc2c(cc1)OCCOCCOCCOCCO2)N(S(=[O]4)(=O)c1ccc(cc1)C)c1ccccc1C=[N]3c1cc2c(cc1)OCCOCCOCCOCCO2)=O
• Title of publication: Synchrotron powder diffraction in a systematic study of 4'-[2-(tosylamino)benzylideneamino]-2,3-benzo-15-crown-5 complexes
• Authors of publication: Dorokhov, Andrey V.; Chernyshov, Dmitrii Yu.; Burlov, Anatolii S.; Garnovskii, Alexandr D.; Ivanova, Irina S.; Pyatova, Elena N.; Tsivadze, Aslan Yu.; Aslanov, Leonid A.; Chernyshev, Vladimir V.
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 3
• Pages of publication: 402 - 410
• a: 19.0356 ± 0.0006 Å
• b: 17.4332 ± 0.0006 Å
• c: 17.418 ± 0.0006 Å
• α: 90°
• β: 113.824 ± 0.003°
• γ: 90°
• Cell volume: 5287.7 ± 0.3 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Goodness-of-fit parameter for all reflections: 1.304
• Diffraction radiation wavelength: 0.51966 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No