Crystallography Open Database

Information card for entry 7711172

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Coordinates	7711172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H54 N4 P2 Ru2 S4
Calculated formula	C64 H54 N4 P2 Ru2 S4
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	34.2817 ± 0.0003 Å
b	34.2817 ± 0.0003 Å
c	13.16739 ± 0.00012 Å
α	90°
β	90°
γ	120°
Cell volume	13401.5 ± 0.2 Å³
Cell temperature	94 ± 2 K
Ambient diffraction temperature	94 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0519
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.1275
Weighted residual factors for all reflections included in the refinement	0.1336
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	7711172.cif