Crystallography Open Database

Information card for entry 7004480

Preview

Coordinates	7004480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H55 F3 N6 O3 S Si2 Zr
Calculated formula	C32 H55 F3 N6 O3 S Si2 Zr
SMILES	C1C2(CN([Si](C)(C)C(C)(C)C)[Zr](N1[Si](C)(C)C(C)(C)C)([n]1c2cccc1)(N=C=NC(C)(C)C)([n]1ccccc1)OS(=O)(=O)C(F)(F)F)C
Title of publication	Zirconium and hafnium (1-pyridinio)imido complexes: functionalized terminal hydrazinediido analogues
Authors of publication	Herrmann, Heike; Gehrmann, Thorsten; Wadepohl, Hubert; Gade, Lutz H.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	44
Pages of publication	6231 - 6241
a	10.4937 ± 0.0005 Å
b	19.0633 ± 0.0009 Å
c	20.8233 ± 0.001 Å
α	90°
β	102.123 ± 0.001°
γ	90°
Cell volume	4072.7 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.064
Residual factor for significantly intense reflections	0.0417
Weighted residual factors for significantly intense reflections	0.0966
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.085
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
179748 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/44.	7004480.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004480.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004480.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7004480.cif