Crystallography Open Database

Information card for entry 4327858

Preview

Coordinates	4327858.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H48 Cl0 N14 Nd2 O19 S3
Calculated formula	C39 H48 N14 Nd2 O19 S3
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	17.3413 ± 0.0005 Å
b	11.6871 ± 0.0003 Å
c	27.8924 ± 0.001 Å
α	90°
β	115.104 ± 0.003°
γ	90°
Cell volume	5119 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0466
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.1064
Weighted residual factors for all reflections included in the refinement	0.1097
Goodness-of-fit parameter for all reflections included in the refinement	1.083
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.	4327858.cif
76780	2013-03-21	cif/ Adding structures of 4327858 via cif-deposit CGI script.	4327858.cif