Information card for entry 8100858

Structure parameters

• Formula: C27 H46 Co N3 O17
• Calculated formula: C27 H46 Co N3 O17
• SMILES: [Co]12345[N]([C@@H]6C(O)[C@@H]([C@H](C([N]2=Cc2c(O3)cccc2)[C@H]6O)O)[N]5=Cc2c(O1)cccc2)=Cc1c(O4)cccc1.O.O.O.O.O.O.O.O.O.O.O.[Co]12345[N]([C@H]6C(O)[C@H]([C@@H](C([N]2=Cc2c(O3)cccc2)[C@@H]6O)O)[N]5=Cc2c(O1)cccc2)=Cc1c(O4)cccc1.O.O.O.O.O.O.O.O.O.O.O
• Title of publication: Crystal structure of1,3,5-tris{[(E)-(2-hydroxyphenyl)- methylidene] amino}-1,3,5-trideoxy-cis-inositolato(3-)-cobalt(III) undecanehydrate, [Co(H~‒3~ thici)] · 11H~2~O
• Authors of publication: Winter, W.; Sander, J.; Hegetschweiler, K.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2001
• Journal volume: 216
• Journal issue: 1
• Pages of publication: 108 - 110
• a: 15.743 ± 0.006 Å
• b: 9.262 ± 0.005 Å
• c: 23.545 ± 0.009 Å
• α: 90°
• β: 105.133 ± 0.008°
• γ: 90°
• Cell volume: 3314 ± 3 ų
• Cell temperature: 243 ± 2 K
• Ambient diffraction temperature: 243 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No