Crystallography Open Database

Information card for entry 4343616

Preview

Coordinates	4343616.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2
Formula	C38 H32 Au F6 N8 P
Calculated formula	C38 H32 Au F6 N8 P
SMILES	[P](F)(F)(F)(F)(F)[F-].[Au](=C1N(c2ccccc2N1Cc1ncccc1)Cc1ncccc1)=C1N(c2ccccc2N1Cc1ncccc1)Cc1ncccc1
Title of publication	Luminescent Mechanochromism in a Gold(I)-Copper(I) N-Heterocyclic Carbene Complex.
Authors of publication	Chen, Kelly; Nenzel, Michelle M.; Brown, Thomas M.; Catalano, Vincent J.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	14
Pages of publication	6900 - 6909
a	8.1963 ± 0.0003 Å
b	10.3998 ± 0.0004 Å
c	11.8265 ± 0.0005 Å
α	68.432 ± 0.001°
β	88.348 ± 0.001°
γ	70.525 ± 0.001°
Cell volume	878.8 ± 0.06 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	0.026
Residual factor for significantly intense reflections	0.0257
Weighted residual factors for significantly intense reflections	0.0546
Weighted residual factors for all reflections included in the refinement	0.0549
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
152816 (current)	2015-08-05	cif/ Updating files of 4343616, 4343617, 4343618, 4343619 Original log message: Adding full bibliography for 4343616--4343619.cif.	4343616.cif
141499	2015-07-10	cif/ Adding structures of 4343616, 4343617, 4343618, 4343619 via cif-deposit CGI script.	4343616.cif