Crystallography Open Database

Information card for entry 1516900

Preview

Coordinates	1516900.cif

Structure parameters

Formula	C18 H19 Cl4 N O Pt Ru S
Calculated formula	C18 H19 Cl4 N O Pt Ru S
SMILES	[cH]12[cH]3[cH]4[cH]5[cH]1[Ru]16782345[c]23[Pt]([n]4c([c]12[cH]6[cH]7[cH]83)cccc4)([S](C)(C)=O)Cl.C(Cl)(Cl)Cl
Title of publication	2-Pyridylmetallocenes, part IV. Cycloplatination of 2-pyridyl-ferrocene, -ruthenocene and -cymantrene. Molecular structures of sigma-Pt{CpM[C5H3(2-C5H4N)]}Cl (DMSO) (M = Fe, Ru) and sigma-Pt{CpFe[C5H3(2-C5H4N)]}(acac)
Authors of publication	Karlheinz Sunkel; Ramona Branzan; Stefan Weigand
Journal of publication	Inorganica Chimica Acta
Year of publication	2013
Journal volume	399
Pages of publication	193 - 199
a	9.8621 ± 0.001 Å
b	10.4803 ± 0.0008 Å
c	11.1942 ± 0.0011 Å
α	100.706 ± 0.007°
β	96.331 ± 0.008°
γ	97.819 ± 0.007°
Cell volume	1115.33 ± 0.18 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0473
Residual factor for significantly intense reflections	0.0339
Weighted residual factors for significantly intense reflections	0.0701
Weighted residual factors for all reflections included in the refinement	0.0726
Goodness-of-fit parameter for all reflections included in the refinement	0.943
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1516900.cif
119616	2014-07-08	cif/ Adding structures of 1516900 via cif-deposit CGI script.	1516900.cif