Crystallography Open Database

Information card for entry 7711175

Preview

Coordinates	7711175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32.5 H30 Cl3 N2 P Ru S2
Calculated formula	C32.5 H30 Cl3 N2 P Ru S2
Title of publication	Single and double deprotonation/dearomatization of N,S-donor pyridinophane ligand in ruthenium complexes
Authors of publication	Dinh, Minh Hoan; Gridneva, Tatiana; Karimata, Ayumu; Garcia-Roca, Alèria; Pruchyathamkorn, Jiratheep; Patil, Pradnya H.; Petrov, Andrey; Sarbajna, Abir; Lapointe, Sébastien; Khaskin, Eugene; Fayzullin, Robert R.; Khusnutdinova, Julia R.
Journal of publication	Dalton Transactions
Year of publication	2022
a	9.24161 ± 0.00005 Å
b	32.47117 ± 0.00013 Å
c	23.4379 ± 0.00009 Å
α	90°
β	95.3008 ± 0.0004°
γ	90°
Cell volume	7003.3 ± 0.05 Å³
Cell temperature	93 ± 2 K
Ambient diffraction temperature	93 ± 2 K
Number of distinct elements	7
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	0.0381
Residual factor for significantly intense reflections	0.0361
Weighted residual factors for significantly intense reflections	0.1007
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
277695 (current)	2022-09-07	cif/ Adding structures of 7711168, 7711169, 7711170, 7711171, 7711172, 7711173, 7711174, 7711175 via cif-deposit CGI script.	7711175.cif