Crystallography Open Database

Information card for entry 7004481

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Coordinates	7004481.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	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	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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7004481.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7004481.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7004481.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.	7004481.cif