Crystallography Open Database

Information card for entry 7061237

Preview

Coordinates	7061237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H43 Au2 Cl4 N9 P2 Zn
Calculated formula	C45 H43 Au2 Cl4 N9 P2 Zn
SMILES	c1([n]2c(ccn1)c1cccc3c4ccnc([n]4[Zn]2([n]13)(Cl)Cl)NCC[P](c1ccccc1)(c1ccccc1)[Au]Cl)NCC[P](c1ccccc1)(c1ccccc1)[Au]Cl.CC#N.CC#N
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	11.5397 ± 0.0003 Å
b	14.4235 ± 0.0005 Å
c	15.6048 ± 0.0004 Å
α	70.951 ± 0.003°
β	79.619 ± 0.002°
γ	87.626 ± 0.002°
Cell volume	2414.47 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0354
Residual factor for significantly intense reflections	0.0331
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0856
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
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.	7061237.cif
272197	2022-01-22	cif/ Adding structures of 7061237, 7061238 via cif-deposit CGI script.	7061237.cif