Crystallography Open Database

Information card for entry 7061238

Preview

Coordinates	7061238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H21 Au Cl N4 P
Calculated formula	C23 H21 Au Cl N4 P
SMILES	c1cccc(c2ccnc(n2)NCC[P](c2ccccc2)(c2ccccc2)[Au]Cl)n1
Title of publication	Synthesis and photophysical properties of multimetallic gold/zinc complexes of (P,N,N,N,P) and (P,N,N) ligands
Authors of publication	Walg, Simon P.; Dietrich, Fabian; Grün, Anneken; Cayir Kücükdisli, Merve; Sun, Yu; Thiel, Werner R.; Gerhards, Markus
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	9
Pages of publication	4062 - 4071
a	10.6195 ± 0.0004 Å
b	12.3785 ± 0.0004 Å
c	18.7756 ± 0.0005 Å
α	108.768 ± 0.003°
β	103.715 ± 0.003°
γ	92.291 ± 0.003°
Cell volume	2252.05 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0364
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0635
Weighted residual factors for all reflections included in the refinement	0.0784
Goodness-of-fit parameter for all reflections included in the refinement	1.11
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
273406 (current)	2022-03-05	cif/ Updating files of 7061237, 7061238 Original log message: Adding full bibliography for 7061237--7061238.cif.	7061238.cif
272197	2022-01-22	cif/ Adding structures of 7061237, 7061238 via cif-deposit CGI script.	7061238.cif