Crystallography Open Database

Information card for entry 7062752

Preview

Coordinates	7062752.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43.25 H38.5 Au Cl0.5 F3 N O4 P S
Calculated formula	C43.25 H38.5 Au Cl0.5 F3 N O4 P S
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	8.7066 ± 0.0004 Å
b	15.2314 ± 0.001 Å
c	34.7368 ± 0.0017 Å
α	90°
β	95.214 ± 0.002°
γ	90°
Cell volume	4587.5 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
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	0.0707
Residual factor for significantly intense reflections	0.0473
Weighted residual factors for significantly intense reflections	0.1175
Weighted residual factors for all reflections included in the refinement	0.1243
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7062752.cif
286482	2023-09-23	cif/ Adding structures of 7062751, 7062752, 7062753, 7062754 via cif-deposit CGI script.	7062752.cif