Crystallography Open Database

Information card for entry 4078086

Preview

Coordinates	4078086.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Guanidinate TriTMSsilyl Zr
Chemical name	Guanidinate TriTMSsilyl Zr
Formula	C28 H67 N5 Si4 Zr
Calculated formula	C28 H67 N5 Si4 Zr
SMILES	[Zr]1(N(C)C)(N(C)C)([N](C2CCCCC2)=C(N(C)C)N1C1CCCCC1)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
Title of publication	Preparation of Zirconium Guanidinate Complexes from the Direct Insertion of a Carbodiimine and Aminolysis Using a Guanidine. Comparison of the Reactions
Authors of publication	Chen, Shu-Jian; Dougan, Brenda A.; Chen, Xue-Tai; Xue, Zi-Ling
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	8
Pages of publication	3443
a	9.635 ± 0.007 Å
b	11.677 ± 0.009 Å
c	17.915 ± 0.013 Å
α	96.198 ± 0.015°
β	95.664 ± 0.017°
γ	93.531 ± 0.016°
Cell volume	1989 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0952
Weighted residual factors for all reflections included in the refinement	0.0979
Goodness-of-fit parameter for all reflections included in the refinement	1.139
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
178669 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/80.	4078086.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078086.cif
57696	2012-05-18	cif/ Adding structures of 4078085, 4078086, 4078087 via cif-deposit CGI script.	4078086.cif