Crystallography Open Database

Information card for entry 7220591

7220590 << 7220591 >> 7220592

Preview

Coordinates	7220591.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C80 H70 Ag15 K2 Mo24 N40 O82 P2
Calculated formula	C80 H70 Ag15 K2 Mo24 N40 O82 P2
Title of publication	A series of polyoxometalate-based compounds including infinite Ag belts and circles constructed by two tolyl-1H-tetrazole isomers
Authors of publication	Tian, Aixiang; Hou, Xue; Ying, Jun; Liu, Guocheng; Yang, Yang; Ning, Yali; Li, Tianjiao; Wang, Xiuli
Journal of publication	RSC Adv.
Year of publication	2015
a	14.554 ± 0.005 Å
b	14.649 ± 0.005 Å
c	20.459 ± 0.007 Å
α	83.042 ± 0.007°
β	77.036 ± 0.007°
γ	64.534 ± 0.006°
Cell volume	3836 ± 2 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	0.1832
Residual factor for significantly intense reflections	0.0916
Weighted residual factors for significantly intense reflections	0.202
Weighted residual factors for all reflections included in the refinement	0.2481
Goodness-of-fit parameter for all reflections included in the refinement	1
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.	7220591.cif
137572	2015-05-30	cif/ Adding structures of 7220591, 7220592, 7220593 via cif-deposit CGI script.	7220591.cif