Crystallography Open Database

Information card for entry 4327854

Preview

Coordinates	4327854.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H18 Er N O9 S2
Calculated formula	C17 H18 Er N O9 S2
Title of publication	Lanthanide-Thiophene-2,5-dicarboxylate Frameworks: Ionothermal Synthesis, Helical Structures, Photoluminescent Properties, and Single-Crystal-to-Single-Crystal Guest Exchange
Authors of publication	Cai-Hong Zhan; Fei Wang; Yao Kang; Jian Zhang
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	523 - 530
a	11.614 ± 0.0005 Å
b	16.0888 ± 0.0007 Å
c	12.0204 ± 0.0006 Å
α	90°
β	112.699 ± 0.002°
γ	90°
Cell volume	2072.11 ± 0.17 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.0551
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0734
Weighted residual factors for all reflections included in the refinement	0.081
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
179381 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/78.	4327854.cif
76776	2013-03-21	cif/ Adding structures of 4327854 via cif-deposit CGI script.	4327854.cif