Crystallography Open Database

Information card for entry 2103101

Preview

Coordinates	2103101.cif
Original IUCr paper	HTML

Structure parameters

Formula	Fe H2 O5 S
Calculated formula	Fe H2 O5 S
SMILES	[Fe+2].S(=O)(=O)([O-])[O-].O
Title of publication	Use of the Inorganic Crystal Structure Database as a problem solving tool
Authors of publication	Kaduk, James A.
Journal of publication	Acta Crystallographica, Section B: Structural Science
Year of publication	2002
Journal volume	58
Journal issue	3
Pages of publication	370 - 379
a	7.1157 ± 0.0009 Å
b	7.518 ± 0.001 Å
c	7.5988 ± 0.0011 Å
α	90°
β	116.307 ± 0.006°
γ	90°
Cell volume	364.4 ± 0.05 Å³
Cell temperature	298 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
203217 (current)	2017-11-15	cif/2/10/ Updating bibliography in entries 2103096, 2103097, 2103098, 2103099, 2103100, 2103101, 2103102, 2103105, 2103106, 2103107, 2103108, 2103109, 2103110, 2103111, 2103112, 2103113, 2103114, 2103115, 2103116, 2103117, 2103118, 2103119, 2103123, 2103124, 2103133, 2103134, 2103135, 2103136, 2103139.	2103101.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.	2103101.cif
91933	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 2x CIFs.	2103101.cif
26848	2011-09-28	cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree.	2103101.cif
966	2010-01-30	cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated.	2103101.cif
378	2008-06-11	Adding updated COD files for the Acta-Cryst-B-2002-an0607/ paper.	2103101.cif
361	2008-04-19	Adding files from the Acta-Cryst-B-2002-03/ deposition.	2103101.cif