Crystallography Open Database

Information card for entry 4068480

Preview

Coordinates	4068480.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C6H6Ru(Me)PTN.BF4
Formula	C13 H22 B Cl F4 N3 P Ru
Calculated formula	C13 H22 B Cl F4 N3 P Ru
Title of publication	Influence of Structural Variation on the Anticancer Activity of RAPTA-Type Complexes: ptn versus pta
Authors of publication	Renfrew, Anna K.; Phillips, Andrew D.; Egger, Alexander E.; Hartinger, Christian G.; Bosquain, Sylvain S.; Nazarov, Alexey A.; Keppler, Bernhard K.; Gonsalvi, Luca; Peruzzini, Maurizio; Dyson, Paul J.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	4
Pages of publication	1165
a	12.4204 ± 0.0012 Å
b	12.8814 ± 0.0013 Å
c	13.3447 ± 0.0018 Å
α	113.158 ± 0.011°
β	108.41 ± 0.01°
γ	101.856 ± 0.009°
Cell volume	1724.4 ± 0.5 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.0592
Residual factor for significantly intense reflections	0.0381
Weighted residual factors for significantly intense reflections	0.0839
Weighted residual factors for all reflections included in the refinement	0.0938
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
178574 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84.	4068480.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068480.cif
39786	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068480, 4068481, 4068482, 4068483 via cif-deposit CGI script.	4068480.cif