Crystallography Open Database

Information card for entry 4329556

Preview

Coordinates	4329556.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H0 N8 Nd2 O80 Si2 W20
Calculated formula	C112 N8 Nd2 O80 Si2 W20
Title of publication	Strategic Design and Refinement of Lewis Acid-Base Catalysis by Rare-Earth-Metal-Containing Polyoxometalates
Authors of publication	Kosuke Suzuki; Midori Sugawa; Yuji Kikukawa; Keigo Kamata; Kazuya Yamaguchi; Noritaka Mizuno
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	6953 - 6961
a	25.706 ± 0.0002 Å
b	24.5296 ± 0.0002 Å
c	28.4474 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	17937.7 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0797
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.0943
Weighted residual factors for all reflections included in the refinement	0.1087
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179398 (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 4/32/95.	4329556.cif
78613	2013-04-02	cif/ Adding structures of 4329556 via cif-deposit CGI script.	4329556.cif