Crystallography Open Database

Information card for entry 7062754

Preview

Coordinates	7062754.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H35 Au F3 N2 O3 P S
Calculated formula	C45 H35 Au F3 N2 O3 P S
SMILES	c1ccc(c(C)c1)[N]1=C2C(c3c4c2cccc4ccc3)=[N](c2ccccc2C)[Au]1[P](c1ccccc1)(c1ccccc1)c1ccccc1.C(F)(F)(F)S(=O)(=O)[O-]
Title of publication	Gold(i) complexes with redox active BIAN and MIAN ligands: synthesis, structure and electrochemistry
Authors of publication	Bardina, Elena E.; Shmelev, Nikita Y.; Albrekht, Yana N.; Koon, Winnie Ka Yiu; Abramov, Pavel A.; Mirzaeva, Irina V.; Sheven’, Dmitriy G.; Makotchenko, Evgeniya V.; Fomenko, Iakov S.; Lukoyanov, Anton N.; Sokolov, Maxim N.; Babak, Maria V.; Gushchin, Artem L.
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	39
Pages of publication	18251 - 18259
a	10.3238 ± 0.0004 Å
b	12.2164 ± 0.0005 Å
c	17.0788 ± 0.0008 Å
α	92.89 ± 0.001°
β	96.36 ± 0.001°
γ	114.033 ± 0.001°
Cell volume	1944.28 ± 0.14 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0623
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0925
Weighted residual factors for all reflections included in the refinement	0.0989
Goodness-of-fit parameter for all reflections included in the refinement	0.957
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
287391 (current)	2023-11-06	cif/ Updating files of 7062751, 7062752, 7062753, 7062754 Original log message: Adding full bibliography for 7062751--7062754.cif.	7062754.cif
286482	2023-09-23	cif/ Adding structures of 7062751, 7062752, 7062753, 7062754 via cif-deposit CGI script.	7062754.cif