Crystallography Open Database

Information card for entry 1540455

Preview

Coordinates	1540455.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(Fc2-NHC)2Au][Cl]
Formula	C94 H100 Au2 Cl6 Fe4 N8
Calculated formula	C94 H100 Au2 Cl6 Fe4 N8
Title of publication	Targeting Antioxidant Pathways with Ferrocenylated N-Heterocyclic Carbene Supported Gold(I) Complexes in A549 Lung Cancer Cells.
Authors of publication	Arambula, J. F.; McCall, R.; Sidoran, K. J.; Magda, D.; Mitchell, N. A.; Bielawski, C. W.; Lynch, V. M.; Sessler, J. L.; Arumugam, K.
Journal of publication	Chemical science (Royal Society of Chemistry : 2010)
Year of publication	2016
Journal volume	7
Journal issue	2
Pages of publication	1245 - 1256
a	27.57803 ± 0.00073 Å
b	11.91923 ± 0.00033 Å
c	27.111 ± 0.00073 Å
α	90 ± 0°
β	95.085 ± 0.0008°
γ	90 ± 0°
Cell volume	8876.6 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0522
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1294
Weighted residual factors for all reflections included in the refinement	0.1306
Goodness-of-fit parameter for all reflections included in the refinement	1.204
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
177711 (current)	2016-03-05	cif/ Updating files of 1540455, 1540456 Original log message: Adding full bibliography for 1540455--1540456.cif.	1540455.cif
175910	2016-02-04	cif/ Updating files of 1540455, 1540456 Original log message: Adding full bibliography for 1540455--1540456.cif.	1540455.cif
169850	2015-10-29	cif/ Adding structures of 1540455, 1540456 via cif-deposit CGI script.	1540455.cif