Crystallography Open Database

Information card for entry 7119573

7119572 << 7119573 >> 7119574

Preview

Coordinates	7119573.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Ag2(?-Cl)2(NHC-N3)2
Formula	C32 H26 Ag2 Cl2 N10
Calculated formula	C32 H26 Ag2 Cl2 N10
SMILES	[Ag]1(=C2N(C=CN2c2ccccc2N=N#N)Cc2ccccc2)[Cl][Ag](=C2N(C=CN2c2ccccc2N=N#N)Cc2ccccc2)[Cl]1
Title of publication	A catalytic intramolecular nitrene insertion into a copper(i)-N-heterocyclic carbene bond yielding fused nitrogen heterocycles.
Authors of publication	Fauché, Kévin; Nauton, Lionel; Jouffret, Laurent; Cisnetti, Federico; Gautier, Arnaud
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2017
Journal volume	53
Journal issue	15
Pages of publication	2402 - 2405
a	8.4826 ± 0.0014 Å
b	9.7874 ± 0.0017 Å
c	11.235 ± 0.002 Å
α	65.594 ± 0.009°
β	73.444 ± 0.009°
γ	86.297 ± 0.009°
Cell volume	812.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0429
Residual factor for significantly intense reflections	0.033
Weighted residual factors for significantly intense reflections	0.0758
Weighted residual factors for all reflections included in the refinement	0.0814
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
193701 (current)	2017-03-05	cif/ Updating files of 7119572, 7119573 Original log message: Adding full bibliography for 7119572--7119573.cif.	7119573.cif
191170	2017-02-01	cif/ Adding structures of 7119572, 7119573 via cif-deposit CGI script.	7119573.cif