Crystallography Open Database

Information card for entry 4063457

Preview

Coordinates	4063457.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BzRuCl(m-CF3)NacNac
Formula	C27 H19 Cl F12 N2 Ru
Calculated formula	C27 H19 Cl F12 N2 Ru
Title of publication	Rational Design of Highly Cytotoxic η6-Arene β-Diketiminato−Ruthenium Complexes
Authors of publication	Phillips, Andrew D.; Zava, Olivier; Scopelitti, Rosario; Nazarov, Alexey A.; Dyson, Paul J.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	2
Pages of publication	417
a	12.9439 ± 0.0013 Å
b	16.1117 ± 0.0018 Å
c	13.2348 ± 0.001 Å
α	90°
β	92.751 ± 0.007°
γ	90°
Cell volume	2756.9 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0642
Residual factor for significantly intense reflections	0.049
Weighted residual factors for significantly intense reflections	0.1184
Weighted residual factors for all reflections included in the refinement	0.1259
Goodness-of-fit parameter for all reflections included in the refinement	1.207
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
178529 (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 4/06/34.	4063457.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063457.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063457.cif
19495	2011-05-11	../uploads/cif-deposit/cod/cif Adding structures of 4063457, 4063458, 4063459, 4063460, 4063461 via cif-deposit CGI script.	4063457.cif