Crystallography Open Database

Information card for entry 1567163

Preview

Coordinates	1567163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H36 B2 Cl2 N2 Ru S4
Calculated formula	C33 H36 B2 Cl2 N2 Ru S4
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	8.1421 ± 0.0016 Å
b	9.038 ± 0.0016 Å
c	11.991 ± 0.002 Å
α	91.746 ± 0.005°
β	95.358 ± 0.006°
γ	91.618 ± 0.005°
Cell volume	877.7 ± 0.3 Å³
Cell temperature	297 ± 2 K
Ambient diffraction temperature	297 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0565
Residual factor for significantly intense reflections	0.0486
Weighted residual factors for significantly intense reflections	0.1137
Weighted residual factors for all reflections included in the refinement	0.1206
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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.	1567163.cif
276200	2022-06-24	cif/ Adding structures of 1567161, 1567162, 1567163, 1567164 via cif-deposit CGI script.	1567163.cif