Crystallography Open Database

Information card for entry 8100858

Preview

Coordinates	8100858.cif

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 Å³
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 F_obs	No

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