Crystallography Open Database

Information card for entry 4123833

Preview

Coordinates	4123833.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H23 Au Cl N5 O3
Calculated formula	C14 H23 Au Cl N5 O3
SMILES	Cl[Au]=C1N(C(=CN1C)c1nnn(c1)CCOCCOCCOC)C
Title of publication	PEGylated N-Heterocyclic Carbene Anchors Designed To Stabilize Gold Nanoparticles in Biologically Relevant Media.
Authors of publication	MacLeod, Michelle J.; Johnson, Jeremiah A.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	25
Pages of publication	7974 - 7977
a	7.4262 ± 0.0005 Å
b	7.6495 ± 0.0005 Å
c	16.8263 ± 0.0011 Å
α	85.0988 ± 0.0018°
β	79.0498 ± 0.0018°
γ	68.9663 ± 0.0018°
Cell volume	875.76 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0254
Residual factor for significantly intense reflections	0.022
Weighted residual factors for significantly intense reflections	0.0537
Weighted residual factors for all reflections included in the refinement	0.0551
Goodness-of-fit parameter for all reflections included in the refinement	1.042
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
140117 (current)	2015-07-05	cif/ Updating files of 4123833 Original log message: Adding full bibliography for 4123833.cif.	4123833.cif
139299	2015-06-18	cif/ Adding structures of 4123833 via cif-deposit CGI script.	4123833.cif