Crystallography Open Database

Information card for entry 7036545

Preview

Coordinates	7036545.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H40 Cu2 N8 O23 V2 W4
Calculated formula	C48 H32 Cu2 N8 O23 V2 W4
Title of publication	Co-sensitization promoted light harvesting with a new mixed-addenda polyoxometalate [Cu(C12H8N2)2]2[V2W4O19]·4H2O in dye-sensitized solar cells.
Authors of publication	Xu, Sha-Sha; Chen, Wei-Lin; Wang, Yan-Hua; Li, Yang-Guang; Liu, Zhu-Jun; Shan, Chun-Hui; Su, Zhong-Min; Wang, En-Bo
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	42
Pages of publication	18553 - 18562
a	27.888 ± 0.003 Å
b	15.5043 ± 0.0016 Å
c	14.6345 ± 0.0015 Å
α	90°
β	117.038 ± 0.001°
γ	90°
Cell volume	5636.1 ± 1 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0685
Residual factor for significantly intense reflections	0.0564
Weighted residual factors for significantly intense reflections	0.1482
Weighted residual factors for all reflections included in the refinement	0.1551
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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.	7036545.cif
171279	2015-12-09	cif/ Updating files of 7036545 Original log message: Adding full bibliography for 7036545.cif.	7036545.cif
156712	2015-09-17	cif/ Adding structures of 7036545 via cif-deposit CGI script.	7036545.cif