Crystallography Open Database

Information card for entry 4513100

Preview

Coordinates	4513100.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H13 La N4 O11 S2
Calculated formula	C22 H18 La N4 O11 S2
Title of publication	Hydrothermal Syntheses, Crystal Structures, and Luminescence Properties of Lanthanide-Based Coordination Polymers Constructed by Sulfonate Functionalized Imidazophenanthroline Derivative Ligand
Authors of publication	Xu, Bing; Chen, Qing; Hu, Huai-Ming; An, Ran; Wang, Xiaofang; Xue, Ganglin
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	5
Pages of publication	2318
a	9.7714 ± 0.0008 Å
b	22.9583 ± 0.0017 Å
c	11.5707 ± 0.0009 Å
α	90°
β	106.36 ± 0.001°
γ	90°
Cell volume	2490.6 ± 0.3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0346
Weighted residual factors for significantly intense reflections	0.1206
Weighted residual factors for all reflections included in the refinement	0.1257
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4513100.cif
137814	2015-06-04	cif/ Adding structures of 4513100 via cif-deposit CGI script.	4513100.cif