Crystallography Open Database

Information card for entry 1567164

Preview

Coordinates	1567164.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H47 Cl2 N3 P Ru S6
Calculated formula	C40 H47 Cl2 N3 P Ru S6
Title of publication	Cooperative B–H bond activation: dual site borane activation by redox active κ2-N,S-chelated complexes
Authors of publication	Zafar, Mohammad; Ahmad, Asif; Saha, Suvam; Ramalakshmi, Rongala; Roisnel, Thierry; Ghosh, Sundargopal
Journal of publication	Chemical Science
Year of publication	2022
Journal volume	13
Journal issue	29
Pages of publication	8567 - 8575
a	43.162 ± 0.006 Å
b	11.6075 ± 0.0014 Å
c	17.077 ± 0.002 Å
α	90°
β	94.107 ± 0.005°
γ	90°
Cell volume	8533.7 ± 1.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1535
Residual factor for significantly intense reflections	0.0622
Weighted residual factors for significantly intense reflections	0.119
Weighted residual factors for all reflections included in the refinement	0.1456
Goodness-of-fit parameter for all reflections included in the refinement	0.82
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
277091 (current)	2022-08-06	cif/ Updating files of 1567161, 1567162, 1567163, 1567164 Original log message: Adding full bibliography for 1567161--1567164.cif.	1567164.cif
276200	2022-06-24	cif/ Adding structures of 1567161, 1567162, 1567163, 1567164 via cif-deposit CGI script.	1567164.cif