Crystallography Open Database

Information card for entry 4511670

Preview

Coordinates	4511670.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C56 H70 Cl10 N4 Ru2
Calculated formula	C56 H70 Cl10 N4 Ru2
Title of publication	Pyrene-Based Mono- and Di-N-Heterocyclic Carbene Ligand Complexes of Ruthenium for the Preparation of Mixed Arylated/Alkylated Arylpyridines
Authors of publication	Gonell, Sergio; Peris, Eduardo
Journal of publication	ACS Catalysis
Year of publication	2014
Journal volume	4
Journal issue	8
Pages of publication	2811
a	23.4392 ± 0.0007 Å
b	12.8809 ± 0.0003 Å
c	20.9819 ± 0.0006 Å
α	90°
β	108.654 ± 0.003°
γ	90°
Cell volume	6002 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0808
Residual factor for significantly intense reflections	0.0635
Weighted residual factors for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.1913
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179663 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/16.	4511670.cif
121128	2014-08-05	cif/ Updating files of 4511670 Original log message: Adding full bibliography for 4511670.cif.	4511670.cif
120690	2014-07-24	cif/ Adding structures of 4511670 via cif-deposit CGI script.	4511670.cif