Crystallography Open Database

Information card for entry 1548587

Preview

Coordinates	1548587.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H17 Au Cl F4 N2 O P
Calculated formula	C25 H17 Au Cl F4 N2 O P
SMILES	[Au](Cl)[P](c1ccccc1)(c1ccccc1)c1ccc(c(c1F)/N=N\c1c(cc(cc1F)OC)F)F
Title of publication	Bimetallic gold(i) complexes of photoswitchable phosphines: synthesis and uses in cooperative catalysis
Authors of publication	Arif, T.; Cazorla, C.; Bogliotti, N.; Saleh, N.; Blanchard, F.; Gandon, V.; Métivier, R.; Xie, J.; Voituriez, A.; Marinetti, A.
Journal of publication	Catalysis Science & Technology
Year of publication	2018
Journal volume	8
Journal issue	3
Pages of publication	710
a	16.0034 ± 0.0005 Å
b	8.3754 ± 0.0002 Å
c	19.2521 ± 0.0005 Å
α	90°
β	111.188 ± 0.003°
γ	90°
Cell volume	2406.01 ± 0.12 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0389
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0566
Weighted residual factors for all reflections included in the refinement	0.0598
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
227979 (current)	2019-11-17	cif/ Updating files of 1548586, 1548587, 1548588, 1548589 Original log message: Adding full bibliography for 1548586--1548589.cif.	1548587.cif
204713	2018-01-04	cif/ Adding structures of 1548586, 1548587, 1548588, 1548589 via cif-deposit CGI script.	1548587.cif