Crystallography Open Database

Information card for entry 4063458

Preview

Coordinates	4063458.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BzRuClNacNac(/a-CF3)
Formula	C28 H27 Cl3 F6 N2 Ru
Calculated formula	C28 H27 Cl3 F6 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	7.9718 ± 0.0002 Å
b	10.1896 ± 0.0008 Å
c	18.2714 ± 0.0018 Å
α	91.374 ± 0.007°
β	95.367 ± 0.005°
γ	106.896 ± 0.004°
Cell volume	1411.84 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0384
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0512
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.117
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.	4063458.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063458.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063458.cif
19495	2011-05-11	../uploads/cif-deposit/cod/cif Adding structures of 4063457, 4063458, 4063459, 4063460, 4063461 via cif-deposit CGI script.	4063458.cif