Crystallography Open Database

Information card for entry 4067346

Preview

Coordinates	4067346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H56 Fe N6 O5 Si2 Zr
Calculated formula	C43 H56 Fe N6 O5 Si2 Zr
Title of publication	Bridging N-Aminoisocyanate Ligands in Heterobimetallic Complexes: Coupling of Zirconium Hydrazinediides and Transition-Metal Carbonyls
Authors of publication	Gehrmann, Thorsten; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	1
Pages of publication	28
a	12.784 ± 0.005 Å
b	17.926 ± 0.008 Å
c	20.567 ± 0.009 Å
α	90°
β	101.349 ± 0.013°
γ	90°
Cell volume	4621 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0345
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0698
Weighted residual factors for all reflections included in the refinement	0.0779
Goodness-of-fit parameter for all reflections included in the refinement	1.105
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178564 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/73.	4067346.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4067346.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4067346.cif
34166	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4067345, 4067346, 4067347 via cif-deposit CGI script.	4067346.cif