Crystallography Open Database

Information card for entry 7003548

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Coordinates	7003548.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H34 Cl3 N O3 P Ru
Calculated formula	C30 H34 Cl3 N O3 P Ru
Title of publication	Ruthenium complexes with tridentate PNX (X = O, S) donor ligands
Authors of publication	Bayly, Simon R.; Cowley, Andrew R.; Dilworth, Jonathan R.; Ward, Caroline V.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	16
Pages of publication	2190 - 2198
a	16.3162 ± 0.0002 Å
b	17.8674 ± 0.0003 Å
c	20.7202 ± 0.0003 Å
α	90°
β	95.0265 ± 0.0007°
γ	90°
Cell volume	6017.29 ± 0.15 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for all reflections included in the refinement	0.0467
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation probe	x-ray
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
179739 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/35.	7003548.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003548.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003548.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7003548.cif