Crystallography Open Database

Information card for entry 4068482

Preview

Coordinates	4068482.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	pCymRu(Me)PTN.BF4
Formula	C18 H32 B Cl3 F4 N3 P Ru
Calculated formula	C18 H32 B Cl3 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	12.6112 ± 0.0013 Å
b	12.8196 ± 0.0015 Å
c	15.4543 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	2498.5 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0352
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0481
Weighted residual factors for all reflections included in the refinement	0.051
Goodness-of-fit parameter for all reflections included in the refinement	1.094
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.	4068482.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068482.cif
39786	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068480, 4068481, 4068482, 4068483 via cif-deposit CGI script.	4068482.cif