Crystallography Open Database

Information card for entry 4336866

Preview

Coordinates	4336866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H18 N2 O4 Pt S4 Zn
Calculated formula	C13 H18 N2 O4 Pt S4 Zn
SMILES	[Pt]1234[Zn]([O]=C(S1)C)([O]=C(S2)C)([O]=C(S3)C)([O]=C(S4)C)[n]1ccc(N)cc1
Title of publication	Pt...Pt vs Pt...S Contacts Between Pt-Containing Heterobimetallic Lantern Complexes
Authors of publication	Frederick G. Baddour; Stephanie R. Fiedler; Matthew P. Shores; Jeffrey W. Bacon; James A. Golen; Arnold L. Rheingold; Linda H. Doerrer
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	13562 - 13575
a	8.9262 ± 0.0014 Å
b	10.6627 ± 0.0017 Å
c	11.0745 ± 0.0018 Å
α	81.62 ± 0.007°
β	76.126 ± 0.006°
γ	72.97 ± 0.007°
Cell volume	975.2 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0221
Residual factor for significantly intense reflections	0.021
Weighted residual factors for significantly intense reflections	0.0525
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
179471 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/68.	4336866.cif
102918	2014-02-24	cif/ Adding structures of 4336866 via cif-deposit CGI script.	4336866.cif