Crystallography Open Database

Information card for entry 4317700

Preview

Coordinates	4317700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H12 Cl2 N2 O6 Ru
Calculated formula	C16 H12 Cl2 N2 O6 Ru
SMILES	[Ru]1(Cl)(Cl)([n]2c(cccc2c2[n]1c(ccc2)C(=O)OC)C(=O)OC)(C#[O])C#[O]
Title of publication	Ruthenium Complexes of Analogues of the Antitumor Antibiotic Streptonigrin
Authors of publication	Pia I. Anderberg; Margaret M. Harding; Ian J. Luck; Peter Turner
Journal of publication	Inorganic Chemistry
Year of publication	2002
Journal volume	41
Pages of publication	1365 - 1371
a	8.917 ± 0.002 Å
b	13.569 ± 0.003 Å
c	7.827 ± 0.002 Å
α	93.78 ± 0.004°
β	100.158 ± 0.004°
γ	100.539 ± 0.004°
Cell volume	911.7 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	294 ± 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	0.022
Residual factor for significantly intense reflections	0.0203
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0544
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
179257 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/77.	4317700.cif
120093	2014-07-12	Adding DOIs to range 4/31 structures.	4317700.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4317700.cif
13978	2011-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4317700 via cif-deposit CGI script.	4317700.cif