Crystallography Open Database

Information card for entry 7015710

Preview

Coordinates	7015710.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H31 Cl4 N4 O4 P Ru S
Calculated formula	C31 H31 Cl4 N4 O4 P Ru S
Title of publication	Transition metal complexes bearing a 2,2-bis(3,5-dimethylpyrazol-1-yl)propionate ligand: one methyl more matters.
Authors of publication	Türkoglu, Gazi; Heinemann, Frank W.; Burzlaff, Nicolai
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	17
Pages of publication	4678 - 4686
a	10.2222 ± 0.0009 Å
b	11.7705 ± 0.001 Å
c	15.5181 ± 0.0013 Å
α	81.278 ± 0.001°
β	71.154 ± 0.001°
γ	77.078 ± 0.001°
Cell volume	1715.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0736
Residual factor for significantly intense reflections	0.0533
Weighted residual factors for significantly intense reflections	0.139
Weighted residual factors for all reflections included in the refinement	0.1526
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179861 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/57.	7015710.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015710.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015710.cif
21326	2011-06-22	../uploads/cif-deposit/cod/cif Adding structures of 7015706, 7015707, 7015708, 7015709, 7015710 via cif-deposit CGI script.	7015710.cif