Crystallography Open Database

Information card for entry 1567162

Preview

Coordinates	1567162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H45 B2 N2 P Ru S5
Calculated formula	C32 H45 B2 N2 P Ru S5
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	17.2497 ± 0.0013 Å
b	15.0068 ± 0.001 Å
c	19.7663 ± 0.0014 Å
α	90°
β	115.089 ± 0.002°
γ	90°
Cell volume	4634 ± 0.6 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0356
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0872
Goodness-of-fit parameter for all reflections included in the refinement	1.136
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
277091 (current)	2022-08-06	cif/ Updating files of 1567161, 1567162, 1567163, 1567164 Original log message: Adding full bibliography for 1567161--1567164.cif.	1567162.cif
276200	2022-06-24	cif/ Adding structures of 1567161, 1567162, 1567163, 1567164 via cif-deposit CGI script.	1567162.cif