Crystallography Open Database

Information card for entry 7212579

Preview

Coordinates	7212579.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CF3CO2Ag-4-pyridylethynide
Formula	C33 H16 Ag9 F18 N3 O14
Calculated formula	C33 H12 Ag9 F18 N3 O14
Title of publication	Rational assembly and luminescence properties of 2 and 3D organometallic networks using silver(i) 4-pyridylethynide and 5-pyrimidylethynide complexes as building units
Authors of publication	Zhang, Tianle; Hu, Yuejie; Kong, Jianxi; Meng, Xianggao; Dai, Xiaomei; Song, Hongbin
Journal of publication	CrystEngComm
Year of publication	2010
Journal volume	12
Journal issue	10
Pages of publication	3027
a	19.1014 ± 0.0013 Å
b	22.2971 ± 0.0015 Å
c	11.1094 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	4731.6 ± 0.6 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	6
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0897
Residual factor for significantly intense reflections	0.0718
Weighted residual factors for significantly intense reflections	0.1776
Weighted residual factors for all reflections included in the refinement	0.1892
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
180456 (current)	2016-03-26	cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/25.	7212579.cif
93129	2014-01-12	cif/ Adding structures of 7212579, 7212580, 7212581, 7212582 via cif-deposit CGI script.	7212579.cif