Crystallography Open Database

Information card for entry 7118034

Preview

Coordinates	7118034.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14.5 H29.5 N6.5 Nd O5 S8
Calculated formula	C12 H16 N4 Nd S8
Title of publication	Construction of a porous three dimensional rare earth metal-sulfur-ligand open framework.
Authors of publication	Xu, Jin; Liu, Ting; Han, Xiaohui; Wang, Shanshan; Liu, Dan; Wang, Cheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2015
Journal volume	51
Journal issue	87
Pages of publication	15819 - 15822
a	16.3046 ± 0.0009 Å
b	16.3046 ± 0.0009 Å
c	6.6306 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1762.7 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	134
Hermann-Mauguin space group symbol	P 42/n n m
Hall space group symbol	-P 4ac 2bc
Residual factor for all reflections	0.0704
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.075
Weighted residual factors for all reflections included in the refinement	0.0864
Goodness-of-fit parameter for all reflections included in the refinement	0.941
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
176429 (current)	2016-02-13	cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary.	7118034.cif
170142	2015-11-07	cif/ Adding structures of 7118034, 7118035 via cif-deposit CGI script.	7118034.cif