Crystallography Open Database

Information card for entry 7020600

7020599 << 7020600 >> 7020601

Preview

Coordinates	7020600.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H27 Cl F N O Ru
Calculated formula	C26 H27 Cl F N O Ru
SMILES	[Ru]123456(N(C(=CC(=[O]1)c1cccc(F)c1)C)c1ccccc1)(Cl)[cH]1[cH]4[c]2([cH]6[cH]5[c]31C(C)C)C
Title of publication	Synthesis of iridium and ruthenium complexes with (N,N), (N,O) and (O,O) coordinating bidentate ligands as potential anti-cancer agents.
Authors of publication	Lucas, Stephanie J.; Lord, Rianne M.; Wilson, Rachel L.; Phillips, Roger M.; Sridharan, Visuvanathar; McGowan, Patrick C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2012
Journal volume	41
Journal issue	45
Pages of publication	13800 - 13802
a	9.841 ± 0.0005 Å
b	10.4805 ± 0.0006 Å
c	12.3289 ± 0.0007 Å
α	100.643 ± 0.002°
β	102.502 ± 0.002°
γ	104.424 ± 0.002°
Cell volume	1163.39 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0328
Residual factor for significantly intense reflections	0.0289
Weighted residual factors for significantly intense reflections	0.0805
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179910 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/06.	7020600.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7020600.cif
71663	2013-01-20	cif/ Adding structures of 7020599, 7020600, 7020601 via cif-deposit CGI script.	7020600.cif