Crystallography Open Database

Information card for entry 4327336

Preview

Coordinates	4327336.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	1
Formula	C20 H22 Ag B F4 N6
Calculated formula	C20 H22 Ag B F4 N6
SMILES	[Ag](=C1N(C=CN1Cc1ncccc1)C)=C1N(C=CN1Cc1ncccc1)C.[B](F)(F)(F)[F-]
Title of publication	Mono-, Di-, and Trinuclear Luminescent Silver(I) and Gold(I) N-Heterocyclic Carbene Complexes Derived from the Picolyl-Substituted Methylimidazolium Salt: 1-Methyl-3-(2-pyridinylmethyl)-1H-imidazolium Tetrafluoroborate
Authors of publication	Vincent J. Catalano; Adam L. Moore
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	6558 - 6566
a	13.777 ± 0.0003 Å
b	11.3666 ± 0.0003 Å
c	14.738 ± 0.0003 Å
α	90°
β	110.57 ± 0.01°
γ	90°
Cell volume	2160.79 ± 0.17 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0249
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0591
Weighted residual factors for all reflections included in the refinement	0.0606
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
179376 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/73.	4327336.cif
120105	2014-07-12	Adding DOIs to range 4/32 structures.	4327336.cif
61100	2012-06-21	cif/ Adding structures of 4327336 via cif-deposit CGI script.	4327336.cif