Crystallography Open Database

Information card for entry 4340482

Preview

Coordinates	4340482.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 B Cl7 N4 O Ru
Calculated formula	C49 H53 B Cl4 N4 O Ru
Title of publication	Solvent-Dependent Switch of Ligand Donor Ability and Catalytic Activity of Ruthenium(II) Complexes Containing Pyridinylidene Amide (PYA) N-Heterocyclic Carbene Hybrid Ligands.
Authors of publication	Leigh, Vivienne; Carleton, Daniel J.; Olguin, Juan; Mueller-Bunz, Helge; Wright, L. James; Albrecht, Martin
Journal of publication	Inorganic chemistry
Year of publication	2014
Journal volume	53
Journal issue	15
Pages of publication	8054
a	11.7717 ± 0.0003 Å
b	14.9915 ± 0.0003 Å
c	15.5208 ± 0.0003 Å
α	89.481 ± 0.002°
β	71.817 ± 0.002°
γ	83.976 ± 0.002°
Cell volume	2587.08 ± 0.1 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0371
Residual factor for significantly intense reflections	0.0355
Weighted residual factors for significantly intense reflections	0.0916
Weighted residual factors for all reflections included in the refinement	0.0929
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179507 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/04.	4340482.cif
121182	2014-08-05	cif/ Updating files of 4340482 Original log message: Adding full bibliography for 4340482.cif.	4340482.cif
120619	2014-07-22	cif/ Adding structures of 4340482 via cif-deposit CGI script.	4340482.cif