Crystallography Open Database

Information card for entry 4327857

Preview

Coordinates	4327857.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H10 N3 O11 S2 Yb
Calculated formula	C20 H10 N3 O11 S2 Yb
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	14.0214 ± 0.0002 Å
b	11.5047 ± 0.0002 Å
c	20.4346 ± 0.0003 Å
α	90°
β	129.375 ± 0.001°
γ	90°
Cell volume	2548.11 ± 0.08 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	0.0274
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0652
Weighted residual factors for all reflections included in the refinement	0.0669
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4327857.cif
76779	2013-03-21	cif/ Adding structures of 4327857 via cif-deposit CGI script.	4327857.cif