Crystallography Open Database

Information card for entry 7111512

Preview

Coordinates	7111512.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	(Ag(pyrimidine)2)3(BF4)(NTf2)2
Formula	C28 H24 Ag3 B F16 N14 O8 S4
Calculated formula	C28 H24 Ag3 B F16 N14 O8 S4
Title of publication	Approaches to crystallization from ionic liquids: complex solvents?complex results, or, a strategy for controlled formation of new supramolecular architectures?
Authors of publication	Reichert, W. Matthew; Holbrey, John D.; Vigour, Kate B.; Morgan, Tonya D.; Broker, Grant A.; Rogers, Robin D.
Journal of publication	Chemical Communications
Year of publication	2006
Journal issue	46
Pages of publication	4767
a	6.328 ± 0.003 Å
b	31.404 ± 0.014 Å
c	24.166 ± 0.011 Å
α	90°
β	90°
γ	90°
Cell volume	4802 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	57
Hermann-Mauguin space group symbol	P b c m
Hall space group symbol	-P 2c 2b
Residual factor for all reflections	0.0821
Residual factor for significantly intense reflections	0.0757
Weighted residual factors for significantly intense reflections	0.1473
Weighted residual factors for all reflections included in the refinement	0.1497
Goodness-of-fit parameter for all reflections included in the refinement	1.36
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
180229 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/15.	7111512.cif
96554	2014-01-29	cif/ Adding structures of 7111509, 7111510, 7111511, 7111512 via cif-deposit CGI script.	7111512.cif