Crystallography Open Database

Information card for entry 4336868

Preview

Coordinates	4336868.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H26 N2 Ni O6 Pt S4
Calculated formula	C14 H26 N2 Ni O6 Pt S4
SMILES	[Pt]1234[Ni]([O]=C(S2)C)([O]=C(S1)C)([O]=C(S3)C)([O]=C(C)S4)[O]=CN(C)C.CN(C)C=O
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	13.0421 ± 0.0002 Å
b	10.8041 ± 0.0002 Å
c	17.1529 ± 0.0003 Å
α	90°
β	94.278 ± 0.001°
γ	90°
Cell volume	2410.25 ± 0.07 Å³
Cell temperature	292 ± 2 K
Ambient diffraction temperature	292 ± 2 K
Number of distinct elements	7
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	0.0252
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0629
Goodness-of-fit parameter for all reflections included in the refinement	1.121
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
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.	4336868.cif
102920	2014-02-24	cif/ Adding structures of 4336868 via cif-deposit CGI script.	4336868.cif