Crystallography Open Database

Information card for entry 7011517

Preview

Coordinates	7011517.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2a
Formula	C56 H80 Cl2 N6 Si6 Zr2
Calculated formula	C55.9055 H80 Cl2 N5.9895 Si6 Zr2
Title of publication	Synthesis, structures, and alkene hydrosilation activities of neutral tripodal amidozirconium alkyls
Authors of publication	Jia, Li; Zhao, Jiquan; Ding, Errun; Brennessel, William W.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2002
Journal issue	13
Pages of publication	2608
a	13.7 ± 0.003 Å
b	25.525 ± 0.005 Å
c	18.183 ± 0.004 Å
α	90°
β	94.187 ± 0.004°
γ	90°
Cell volume	6341 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.053
Residual factor for significantly intense reflections	0.0362
Weighted residual factors for significantly intense reflections	0.0766
Weighted residual factors for all reflections included in the refinement	0.0824
Goodness-of-fit parameter for all reflections included in the refinement	1.006
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
213973 (current)	2019-03-05	cod/ Removed potentially copyrighted or irrelevant data items from 1289 entries.	7011517.cif
179819	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/15.	7011517.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7011517.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7011517.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7011517.cif