Crystallography Open Database

Information card for entry 2105679

Preview

Coordinates	2105679.cif
Original IUCr paper	HTML

Structure parameters

Common name	lithium iodoacetate
Chemical name	iodoacetic acid, lithium salt
Formula	C2 H2 I Li O2
Calculated formula	C2 I Li O2
SMILES	[Li]1OC(CI)=[O][Li]2[O]1C(CI)=[O][Li]1[O]2C(CI)=[O][Li][O]1C(CI)=[O]
Title of publication	Structure determination of lithium chloroacetate, lithium bromoacetate and lithium iodoacetate by powder diffraction
Authors of publication	Ehrenberg, H.; Hasse, B.; Schwarz, K.; Epple, M.
Journal of publication	Acta Crystallographica Section B
Year of publication	1999
Journal volume	55
Journal issue	4
Pages of publication	517 - 524
a	10.1812 ± 0.001 Å
b	4.8922 ± 0.0008 Å
c	9.0468 ± 0.001 Å
α	90°
β	93.251 ± 0.005°
γ	90°
Cell volume	449.88 ± 0.1 Å³
Cell temperature	298 K
Ambient diffraction temperature	298 K
Number of distinct elements	5
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	2.03
Diffraction radiation wavelength	1.2006 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
190398 (current)	2017-01-11	cif/2/ (antanas@echidna.ibt.lt) Adding the _atom_type_symbol data item to the _atom_type loop in entries 2005110, 2006000, 2009442, 2009597, 2009598, 2009599, 2009601, 2009602, 2009846, 2009855, 2105679, 2215977, 2005600. The values of the _atom_type_symbol data item were inferred from the _atom_site_type_symbol and _atom_site_label data items.	2105679.cif
176768	2016-02-20	cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10.	2105679.cif
90955	2013-11-21	cif/ Adding structures of 2105677, 2105678, 2105679 via cif-deposit CGI script.	2105679.cif