Crystallography Open Database

Information card for entry 4113859

Preview

Coordinates	4113859.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H29 Cl7 N6 O2 Pt2 Ru S2
Calculated formula	C31 H29 Cl7 N6 O2 Pt2 Ru S2
SMILES	c1ccc2c3c4c(ccc[n]4[Ru]4(C#[N][Pt](Cl)(Cl)[S](C)(C)=O)(C#[N][Pt](Cl)(Cl)[S](C)(C)=O)([n]13)[n]1cccc3c1c1c(ccc[n]41)cc3)cc2.C(Cl)(Cl)Cl
Title of publication	A Trinuclear Heterobimetallic Ru(II)/Pt(II) Complex as a Chemodosimeter Selective for Sulfhydryl-Containing Amino Acids and Peptides
Authors of publication	Cheuk-Fai Chow; Brenda K. W. Chiu; Michael H. W. Lam; Wai-Yeung Wong
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	7802 - 7803
a	13.0395 ± 0.0012 Å
b	18.0525 ± 0.0017 Å
c	17.8407 ± 0.0017 Å
α	90°
β	103.389 ± 0.002°
γ	90°
Cell volume	4085.5 ± 0.7 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.092
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.1152
Goodness-of-fit parameter for all reflections included in the refinement	0.935
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
178909 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/38.	4113859.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113859.cif
67133	2012-09-19	cif/ Adding structures of 4113859 via cif-deposit CGI script.	4113859.cif