Crystallography Open Database

Information card for entry 4070700

Preview

Coordinates	4070700.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38.5 H58 F3 N5 O4 S Si2 Zr
Calculated formula	C38.5 H58 F3 N5 O4 S Si2 Zr
Title of publication	A Zirconium (1-Pyridinio)imido Complex: Facile N−N Bond Cleavage and N−C Bond Formation
Authors of publication	Herrmann, Heike; Lloret Fillol, Julio; Wadepohl, Hubert; Gade, Lutz H.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	2
Pages of publication	172
a	9.9979 ± 0.0006 Å
b	13.3201 ± 0.0009 Å
c	18.538 ± 0.0011 Å
α	92.16 ± 0.001°
β	103.483 ± 0.001°
γ	110.444 ± 0.001°
Cell volume	2230.2 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0548
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.0972
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	1.073
Diffraction radiation probe	x-ray
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4070700.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070700.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070700.cif
42648	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070698, 4070699, 4070700 via cif-deposit CGI script.	4070700.cif