Crystallography Open Database

Information card for entry 7212729

Preview

Coordinates	7212729.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H24 Cu3 N6 O50 S12 V3.96 W8.04
Calculated formula	C54 H24 Cu3 N6 O50 S12 V3.96 W8.04
Title of publication	Honeycomb nanoscale-porous material constructed from copper complexes and mixed-addenda Lindqvist-type polyoxoanions
Authors of publication	Wang, Chunling; Ren, Yuanhang; Du, Chengbo; Yue, Bin; Kong, Zuping; Weng, Linhong; He, Heyong
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	11
Pages of publication	3522
a	23.717 ± 0.006 Å
b	23.717 ± 0.006 Å
c	22.033 ± 0.008 Å
α	90°
β	90°
γ	120°
Cell volume	10733 ± 5 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	8
Space group number	192
Hermann-Mauguin space group symbol	P 6/m c c
Hall space group symbol	-P 6 2c
Residual factor for all reflections	0.1766
Residual factor for significantly intense reflections	0.0728
Weighted residual factors for significantly intense reflections	0.2401
Weighted residual factors for all reflections included in the refinement	0.3215
Goodness-of-fit parameter for all reflections included in the refinement	0.919
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.	7212729.cif
93252	2014-01-12	cif/ Adding structures of 7212729 via cif-deposit CGI script.	7212729.cif