Crystallography Open Database

Information card for entry 7002989

Preview

Coordinates	7002989.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H27 Cl10 N3 O3 Ru
Calculated formula	C29 H27 Cl10 N3 O3 Ru
SMILES	[Ru]123456(Cl)([n]7c8ccccc8ccc7C(=O)N1c1ccc(N(=O)=O)cc1)[c]1(C(C)C)[cH]2[cH]3[c]4(C)[cH]5[cH]61.ClC(Cl)Cl.ClC(Cl)Cl.ClC(Cl)Cl
Title of publication	Synthesis, molecular structure and evaluation of new organometallic ruthenium anticancer agents
Authors of publication	Camm, Kenneth D.; El-Sokkary, Ahmed; Gott, Andrew L.; Stockley, Peter G.; Belyaeva, Tamara; McGowan, Patrick C.
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	48
Pages of publication	10914 - 10925
a	12.554 ± 0.0002 Å
b	15.277 ± 0.0003 Å
c	19.444 ± 0.0003 Å
α	90°
β	104.307 ± 0.001°
γ	90°
Cell volume	3613.46 ± 0.11 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0723
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.0957
Weighted residual factors for all reflections included in the refinement	0.1083
Goodness-of-fit parameter for all reflections included in the refinement	1.029
Diffraction radiation probe	x-ray
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
179733 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/29.	7002989.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7002989.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7002989.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7002989.cif