Crystallography Open Database

Information card for entry 7062766

Preview

Coordinates	7062766.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	C51H38Cl2N4O5P2RuS2
Formula	C51 H38 Cl1.8 N4 O4.2 P2 Ru S2
Calculated formula	C51 H38 Cl1.8 N4 O4.2 P2 Ru S2
Title of publication	Ruthenium-hydride-mediated stabilisation of the azo anion radical of azobis(benzothiazole) and its reversible electron-reservoir feature
Authors of publication	Singh, Aditi; Seikh, Liton; Dey, Sanchaita; Lahiri, Goutam Kumar
Journal of publication	New Journal of Chemistry
Year of publication	2023
Journal volume	47
Journal issue	42
Pages of publication	19428 - 19438
a	19.497 ± 0.0003 Å
b	14.2023 ± 0.0002 Å
c	32.8171 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	9087.1 ± 0.2 Å³
Cell temperature	150 ± 0.1 K
Ambient diffraction temperature	150 ± 0.1 K
Number of distinct elements	8
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0524
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1026
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
287377 (current)	2023-11-06	cif/ Updating files of 7062764, 7062765, 7062766 Original log message: Adding full bibliography for 7062764--7062766.cif.	7062766.cif
286568	2023-09-28	cif/ Adding structures of 7062764, 7062765, 7062766 via cif-deposit CGI script.	7062766.cif