Crystallography Open Database

Information card for entry 7052821

Preview

Coordinates	7052821.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C114 H111 Cl15 N54 O76 Sm6
Calculated formula	C113.98 H84 Cl14.97 N54.005 O75.97 Sm6
Title of publication	Catalytic performance of lanthanide molecular solids containing well-modified metal‒organic octahedra
Authors of publication	Wu, Xiao; Lin, Zhihua; He, Cheng; Duan, Chunying
Journal of publication	New Journal of Chemistry
Year of publication	2012
Journal volume	36
Journal issue	1
Pages of publication	161
a	28.803 ± 0.004 Å
b	28.803 ± 0.004 Å
c	44.831 ± 0.009 Å
α	90°
β	90°
γ	120°
Cell volume	32210 ± 9 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1788
Residual factor for significantly intense reflections	0.0791
Weighted residual factors for significantly intense reflections	0.2111
Weighted residual factors for all reflections included in the refinement	0.2605
Goodness-of-fit parameter for all reflections included in the refinement	0.952
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
180082 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/28.	7052821.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7052821.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7052821.cif
33517	2012-02-12	../uploads/cif-deposit/cod/cif Adding structures of 7052821 via cif-deposit CGI script.	7052821.cif