Crystallography Open Database

Information card for entry 4078319

Preview

Coordinates	4078319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 Ag2 Cl2 N4
Calculated formula	C26 H32 Ag2 Cl2 N4
SMILES	C1(N(C=CN1c1c(cc(cc1C)C)C)C)=[Ag]1[Cl][Ag](=C2N(C=CN2c2c(cc(cc2C)C)C)C)[Cl]1
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	7.9573 ± 0.0011 Å
b	9.5463 ± 0.0014 Å
c	10.3479 ± 0.0016 Å
α	79.796 ± 0.009°
β	70.501 ± 0.008°
γ	66.039 ± 0.008°
Cell volume	676.33 ± 0.18 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0626
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	1.054
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.	4078319.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078319.cif
59897	2012-06-14	cif/ Adding structures of 4078319, 4078320, 4078321, 4078322 via cif-deposit CGI script.	4078319.cif