Crystallography Open Database

Information card for entry 4344689

Preview

Coordinates	4344689.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H26 Ag Br N2
Calculated formula	C22 H26 Ag Br N2
SMILES	[Ag](Br)=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)Cc1ccccc1
Title of publication	Poly(benzyl ether) Dendrimers Functionalized at the Core with Palladium Bis(N-Heterocyclic Carbene) Complexes as Catalysts for the Heck Coupling Reaction.
Authors of publication	Ortiz, Alba M.; Sánchez-Méndez, Alberto; de Jesús, Ernesto; Flores, Juan C.; Gómez-Sal, Pilar; Mendicuti, Francisco
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	3
Pages of publication	1304 - 1314
a	9.7047 ± 0.0004 Å
b	10.9618 ± 0.0009 Å
c	20.715 ± 0.0016 Å
α	90°
β	102.546 ± 0.004°
γ	90°
Cell volume	2151.1 ± 0.3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	5
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0681
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0793
Weighted residual factors for all reflections included in the refinement	0.0869
Goodness-of-fit parameter for all reflections included in the refinement	0.967
Diffraction radiation probe	x-ray
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
190287 (current)	2017-01-09	cif/4: Fixing Z values and formulae	4344689.cif
175572	2016-02-04	cif/ Adding structures of 4344688, 4344689, 4344690, 4344691, 4344692, 4344693 via cif-deposit CGI script.	4344689.cif