Crystallography Open Database

Information card for entry 7134307

Preview

Coordinates	7134307.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H37 Br N2 Ru Si
Calculated formula	C26 H37 Br N2 Ru Si
Title of publication	Alkene-promoted NHC ligand substitution in orthometalated Ru-NHC complexes <i>via</i> σ-bond metathesis: a mechanistic insight.
Authors of publication	Ramachandran, Arya; Bauri, Somnath; Rit, Arnab
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2025
Journal volume	61
Journal issue	26
Pages of publication	5011 - 5014
a	13.9782 ± 0.0008 Å
b	12.5557 ± 0.0006 Å
c	16.6745 ± 0.0008 Å
α	90°
β	110.614 ± 0.002°
γ	90°
Cell volume	2739.1 ± 0.2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
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	0.0358
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0594
Weighted residual factors for all reflections included in the refinement	0.0631
Goodness-of-fit parameter for all reflections included in the refinement	1.027
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7134307.html