Crystallography Open Database

Information card for entry 7711171

Preview

Coordinates	7711171.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H37 Cl N2 P Ru S2
Calculated formula	C41 H37 Cl 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	13.28954 ± 0.00011 Å
b	8.79277 ± 0.00009 Å
c	30.6796 ± 0.0003 Å
α	90°
β	95.1615 ± 0.0009°
γ	90°
Cell volume	3570.43 ± 0.06 Å³
Cell temperature	94 ± 2 K
Ambient diffraction temperature	94 ± 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	0.0376
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0834
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation probe	x-ray
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
277695 (current)	2022-09-07	cif/ Adding structures of 7711168, 7711169, 7711170, 7711171, 7711172, 7711173, 7711174, 7711175 via cif-deposit CGI script.	7711171.cif