Crystallography Open Database

Information card for entry 7219935

7219934 << 7219935 >> 7219936

Preview

Coordinates	7219935.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H79 Cu N12 O80.5 P2 Ti2 W22
Calculated formula	C58 H76 Cu N12 O80.5 P2 Ti2 W22
Title of publication	Organic‒inorganic hybrid assemblies based on Ti-substituted polyoxometalates for photocatalytic dye degradation
Authors of publication	Xu, Li-Jie; Zhou, Wen-Zhe; Zhang, Li-Yuan; Li, Bin; Zang, Hong-Ying; Wang, Yong-Hui; Li, Yang-Guang
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	19
Pages of publication	3708
a	14.6474 ± 0.0009 Å
b	19.8814 ± 0.0012 Å
c	21.9641 ± 0.0014 Å
α	78.874 ± 0.001°
β	88.113 ± 0.001°
γ	75.659 ± 0.001°
Cell volume	6079.7 ± 0.7 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1104
Residual factor for significantly intense reflections	0.0645
Weighted residual factors for significantly intense reflections	0.1445
Weighted residual factors for all reflections included in the refinement	0.1882
Goodness-of-fit parameter for all reflections included in the refinement	1.061
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.	7219935.cif
138555	2015-06-07	cif/ Updating files of 7219934, 7219935, 7219936 Original log message: Adding full bibliography for 7219934--7219936.cif.	7219935.cif
134102	2015-03-19	cif/ Adding structures of 7219934, 7219935, 7219936 via cif-deposit CGI script.	7219935.cif