Crystallography Open Database

Information card for entry 2101205

Preview

Coordinates	2101205.cif
Original IUCr paper	HTML

Structure parameters

Formula	C6 H12 Cl2 Na2 O12 U
Calculated formula	C12 H12 Cl4 Na2 O16 U
SMILES	[U]12(OC3C(O1)=C(C(C(C=3Cl)=O)=O)Cl)(=O)(=O)([OH2])OC1C(O2)=C(C(C(C=1Cl)=O)=O)Cl.[Na+].O.[Na+].O.O.O.O
Title of publication	<i>Ab initio</i> structure determination from powder data using direct methods
Authors of publication	Spengler, R.; Zimmermann, H.; Burzlaff, H.; Jansen, J.; Peschar, R.; Schenk, H.
Journal of publication	Acta Crystallographica Section B
Year of publication	1994
Journal volume	50
Journal issue	5
Pages of publication	578 - 582
a	12.217 ± 0.002 Å
b	16.543 ± 0.003 Å
c	5.9206 ± 0.0001 Å
α	90°
β	102.57 ± 0.01°
γ	90°
Cell volume	1167.9 ± 0.3 Å³
Number of distinct elements	6
Hermann-Mauguin space group symbol	I 1 m 1
Hall space group symbol	I -2y
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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