Crystallography Open Database

Information card for entry 1516901

Preview

Coordinates	1516901.cif

Structure parameters

Formula	C20 H19 Fe N O2 Pt
Calculated formula	C20 H19 Fe N O2 Pt
SMILES	[cH]12[cH]3[cH]4[cH]5[cH]1[Fe]16782345[c]23c4cccc[n]4[Pt]4([c]12[cH]6[cH]7[cH]83)OC(=CC(=[O]4)C)C
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	16.208 ± 0.0005 Å
b	12.3572 ± 0.0004 Å
c	17.5616 ± 0.0005 Å
α	90°
β	91.026 ± 0.003°
γ	90°
Cell volume	3516.77 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0222
Weighted residual factors for significantly intense reflections	0.041
Weighted residual factors for all reflections included in the refinement	0.0426
Goodness-of-fit parameter for all reflections included in the refinement	0.813
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 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.	1516901.cif
119617	2014-07-08	cif/ Adding structures of 1516901 via cif-deposit CGI script.	1516901.cif