Crystallography Open Database

Information card for entry 7212581

Preview

Coordinates	7212581.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	5-Pyrimidylethynide-CF3CO2Ag
Formula	C12 H9 Ag4 F9 N2 O9
Calculated formula	C12 H9 Ag4 F9 N2 O9
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	15.5338 ± 0.0004 Å
b	16.0601 ± 0.0005 Å
c	17.2227 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	4296.6 ± 0.2 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0548
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0855
Weighted residual factors for all reflections included in the refinement	0.0892
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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.	7212581.cif
93129	2014-01-12	cif/ Adding structures of 7212579, 7212580, 7212581, 7212582 via cif-deposit CGI script.	7212581.cif