Crystallography Open Database

Information card for entry 4339184

Preview

Coordinates	4339184.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	AW14
Chemical name	AW14
Formula	C18 H20 N3 O4 Ru
Calculated formula	C18 H20 N3 O4 Ru
SMILES	[Ru]123([O]=C(C)C=C(O1)C)(OC(=CC(=[O]2)C)C)[n]1ccccc1c1n3ccn1
Title of publication	Synthesis and characterization of ruthenium bis(beta-diketonato) pyridine-imidazole complexes for hydrogen atom transfer.
Authors of publication	Wu, Adam; Masland, Joshua; Swartz, Rodney D.; Kaminsky, Werner; Mayer, James M.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	26
Pages of publication	11190 - 11201
a	10.2674 ± 0.0005 Å
b	11.4128 ± 0.0006 Å
c	15.8465 ± 0.001 Å
α	90°
β	90.087 ± 0.003°
γ	90°
Cell volume	1856.89 ± 0.18 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
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	0.0931
Residual factor for significantly intense reflections	0.0653
Weighted residual factors for significantly intense reflections	0.1704
Weighted residual factors for all reflections included in the refinement	0.1939
Goodness-of-fit parameter for all reflections included in the refinement	1.021
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179494 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/91.	4339184.cif
171491	2015-12-13	cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4.	4339184.cif
117186	2014-06-14	cif/ Adding structures of 4339184 via cif-deposit CGI script.	4339184.cif