Crystallography Open Database

Information card for entry 7003864

Preview

Coordinates	7003864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H59 N5 Si3 Zr
Calculated formula	C27 H59 N5 Si3 Zr
SMILES	C1C2(CN([Si](C)(C)C(C)(C)C)[Zr]3(C[Si](C)(C)C)(N1[Si](C)(C)C(C)(C)C)([n]1c2cccc1)N[N]3(C)C)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	16.7739 ± 0.0009 Å
b	12.2454 ± 0.0007 Å
c	18.351 ± 0.0011 Å
α	90°
β	111.567 ± 0.001°
γ	90°
Cell volume	3505.5 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
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	0.0699
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0961
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.044
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.	7003864.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7003864.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7003864.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.	7003864.cif