Crystallography Open Database

Information card for entry 4078321

Preview

Coordinates	4078321.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H28 Ag I N4
Calculated formula	C26 H32 Ag N4
SMILES	C1(N(C=CN1c1c(cc(cc1C)C)C)C)=[Ag]=C1N(C=CN1c1c(cc(cc1C)C)C)C
Title of publication	Studies of Ligand Exchange in N-Heterocyclic Carbene Silver(I) Complexes
Authors of publication	Su, Haw-Lih; Pérez, Lisa M.; Lee, Sheng-Jui; Reibenspies, Joseph H.; Bazzi, Hassan S.; Bergbreiter, David E.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	10
Pages of publication	4063
a	17.3 ± 0.017 Å
b	17.3 ± 0.017 Å
c	16.85 ± 0.02 Å
α	90°
β	90°
γ	120°
Cell volume	4367 ± 8 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	179
Hermann-Mauguin space group symbol	P 65 2 2
Hall space group symbol	P 65 2 (0 0 1)
Residual factor for all reflections	0.2255
Residual factor for significantly intense reflections	0.0739
Weighted residual factors for significantly intense reflections	0.1032
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
178672 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/83.	4078321.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078321.cif
59897	2012-06-14	cif/ Adding structures of 4078319, 4078320, 4078321, 4078322 via cif-deposit CGI script.	4078321.cif