Crystallography Open Database

Information card for entry 4334802

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Coordinates	4334802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H32 Fe N2 P2 Ru
Calculated formula	C26 H32 Fe N2 P2 Ru
SMILES	C[P](C)(c1ccccc1)[Ru]12(N[c]34[cH]5[cH]6[cH]7[cH]3[Fe]389%1024567[c]2([cH]3[cH]8[cH]9[cH]%102)N1)[P](C)(C)c1ccccc1
Title of publication	Characterization of an Iron-Ruthenium Interaction in a Ferrocene Diamide Complex
Authors of publication	Aaron G. Green; Matthew D. Kiesz; Jeremy V. Oria; Andrew G. Elliott; Andrew K. Buechler; Johannes Hohenberger; Karsten Meyer; Jeffrey I. Zink; Paula L. Diaconescu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	5603 - 5610
a	14.384 ± 0.007 Å
b	10.44 ± 0.005 Å
c	16.969 ± 0.008 Å
α	90°
β	108.776 ± 0.005°
γ	90°
Cell volume	2413 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0802
Residual factor for significantly intense reflections	0.0732
Weighted residual factors for significantly intense reflections	0.1902
Weighted residual factors for all reflections included in the refinement	0.1982
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
179451 (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 4/33/48.	4334802.cif
100677	2014-02-06	cif/ Adding structures of 4334802 via cif-deposit CGI script.	4334802.cif