Crystallography Open Database

Information card for entry 7206147

7206146 << 7206147 >> 7206148

Preview

Coordinates	7206147.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H72 Cu4.5 N18 O40 P W12
Calculated formula	C90 H48 Cu4.5 N18 O40 P W12
Title of publication	Three novel supramolecular hybrid compounds based on keggin polytungstates
Authors of publication	Xiao, Li-Na; Wang, Yan; Pan, Cheng-Ling; Xu, Jia-Ning; Wang, Tie-Gang; Ding, Hong; Gao, Zhong-Min; Zheng, Da-Fang; Cui, Xiao-Bing; Xu, Ji-Qing
Journal of publication	CrystEngComm
Year of publication	2011
Journal volume	13
Journal issue	15
Pages of publication	4878
a	22.0053 ± 0.0005 Å
b	22.0053 ± 0.0005 Å
c	76.102 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	31914 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0609
Residual factor for significantly intense reflections	0.0482
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1411
Goodness-of-fit parameter for all reflections included in the refinement	1.187
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7206147.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7206147.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7206147.cif
23528	2011-08-09	../uploads/cif-deposit/cod/cif Adding structures of 7206147, 7206148, 7206149 via cif-deposit CGI script.	7206147.cif