Crystallography Open Database

Information card for entry 4070904

Preview

Coordinates	4070904.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H28 N4 Si Zn
Calculated formula	C22 H28 N4 Si Zn
SMILES	[Zn]12([n]3c(n4[n]2c(cc4C)C)cccc3C=C(N1[Si](C)(C)C)c1ccccc1)C
Title of publication	Synthesis, Characterization, and Catalysis in ϵ-Caprolactone Polymerization of Aluminum and Zinc Complexes Supported byN,N,N-Chelate Ligands
Authors of publication	Chai, Zuo-Yun; Zhang, Cheng; Wang, Zhong-Xia
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	7
Pages of publication	1626
a	8.0286 ± 0.0016 Å
b	11.2735 ± 0.0018 Å
c	12.947 ± 0.002 Å
α	79.004 ± 0.002°
β	80.062 ± 0.002°
γ	83.476 ± 0.002°
Cell volume	1129.1 ± 0.3 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 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	0.1016
Residual factor for significantly intense reflections	0.0522
Weighted residual factors for significantly intense reflections	0.0915
Weighted residual factors for all reflections included in the refinement	0.1103
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
178598 (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 4/07/09.	4070904.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070904.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070904.cif
42835	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070904, 4070905, 4070906, 4070907 via cif-deposit CGI script.	4070904.cif