Crystallography Open Database

Information card for entry 7210420

Preview

Coordinates	7210420.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H56.5 Cu6.5 N36 O44 Si W12
Calculated formula	C60 H26 Cu6.5 N36 O44 Si W12
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	23.867 Å
b	18.177 Å
c	22.425 Å
α	90°
β	90°
γ	90°
Cell volume	9728.65 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.048
Residual factor for significantly intense reflections	0.0424
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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.	7210420.cif
87620	2013-08-27	cif/ Adding structures of 7210419, 7210420 via cif-deposit CGI script.	7210420.cif