Crystallography Open Database

Information card for entry 7210419

Preview

Coordinates	7210419.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H16 Cu2 N12 O23 Si0.5 W6
Calculated formula	C20 H16 Cu2 N12 O23 Si0.5 W6
Title of publication	Assembly of copper‒tetrazole frameworks with role-changeable Keggin clusters: syntheses, structures, solvent-dependent luminescence and electrochemistry properties
Authors of publication	Shi, Zhen-yu; Zhang, Zhe-yu; Peng, Jun; Yu, Xia; Wang, Xiang
Journal of publication	CrystEngComm
Year of publication	2013
Journal volume	15
Journal issue	36
Pages of publication	7199
a	11.524 ± 0.0011 Å
b	12.878 ± 0.0013 Å
c	14.498 ± 0.0014 Å
α	107.331 ± 0.001°
β	107.397 ± 0.001°
γ	94.717 ± 0.001°
Cell volume	1925 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.07
Residual factor for significantly intense reflections	0.0477
Weighted residual factors for significantly intense reflections	0.102
Weighted residual factors for all reflections included in the refinement	0.1122
Goodness-of-fit parameter for all reflections included in the refinement	1.035
Diffraction radiation wavelength	0.71069 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.	7210419.cif
87620	2013-08-27	cif/ Adding structures of 7210419, 7210420 via cif-deposit CGI script.	7210419.cif