Crystallography Open Database

Information card for entry 4070907

Preview

Coordinates	4070907.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H47 N3 P2 Si2 Zn
Calculated formula	C38 H47 N3 P2 Si2 Zn
SMILES	[Zn]12([n]3c(P(=[N]1[Si](C)(C)C)(c1ccccc1)c1ccccc1)cccc3C=P(N2[Si](C)(C)C)(c1ccccc1)c1ccccc1)CC
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	11.924 ± 0.001 Å
b	12.2017 ± 0.0012 Å
c	14.1673 ± 0.0014 Å
α	87.485 ± 0.007°
β	69.713 ± 0.004°
γ	83.888 ± 0.007°
Cell volume	1922.3 ± 0.3 Å³
Cell temperature	113 ± 2 K
Ambient diffraction temperature	113 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0671
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1327
Weighted residual factors for all reflections included in the refinement	0.1374
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.7107 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.	4070907.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070907.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070907.cif
42835	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070904, 4070905, 4070906, 4070907 via cif-deposit CGI script.	4070907.cif