Crystallography Open Database

Information card for entry 7003862

Preview

Coordinates	7003862.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H41 Cl2 N3 Si2 Zr
Calculated formula	C21 H41 Cl2 N3 Si2 Zr
SMILES	C1C2(CN([Si](C)(C)C(C)(C)C)[Zr](Cl)(Cl)(N1[Si](C)(C)C(C)(C)C)[n]1c2cccc1)C
Title of publication	En route to zirconium hydrazides(2−)
Authors of publication	Herrmann, Heike; Wadepohl, Hubert; Gade, Lutz H.
Journal of publication	Dalton Transactions
Year of publication	2008
Journal issue	16
Pages of publication	2111 - 2119
a	15.056 ± 0.002 Å
b	21.423 ± 0.003 Å
c	18.016 ± 0.003 Å
α	90°
β	90.69 ± 0.003°
γ	90°
Cell volume	5810.5 ± 1.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0804
Residual factor for significantly intense reflections	0.0527
Weighted residual factors for significantly intense reflections	0.1396
Weighted residual factors for all reflections included in the refinement	0.1507
Goodness-of-fit parameter for all reflections included in the refinement	1.096
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
179742 (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 7/00/38.	7003862.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003862.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003862.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.	7003862.cif