Crystallography Open Database

Information card for entry 4506352

Preview

Coordinates	4506352.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C7 H8 N3 O8 S Sm
Calculated formula	C7 H8 N3 O8 S Sm
Title of publication	Lanthanide Coordination Polymers Constructed from Imidazole-4,5-Dicarboxylate and Sulfate: Syntheses, Structural Diversity, and Photoluminescent Properties
Authors of publication	Lu, Wen-Guan; Zhong, Di-Chang; Jiang, Long; Lu, Tong-Bu
Journal of publication	Crystal Growth & Design
Year of publication	2012
Journal volume	12
Journal issue	7
Pages of publication	3675
a	6.555 ± 0.0002 Å
b	13.3453 ± 0.0004 Å
c	12.6525 ± 0.0004 Å
α	90°
β	101.999 ± 0.003°
γ	90°
Cell volume	1082.64 ± 0.06 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0414
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0497
Weighted residual factors for all reflections included in the refinement	0.0538
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179599 (current)	2016-03-24	cif/4/50/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/50/63.	4506352.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4506352.cif
62243	2012-07-07	cif/ Adding structures of 4506352 via cif-deposit CGI script.	4506352.cif