Crystallography Open Database

Information card for entry 7022118

Preview

Coordinates	7022118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H54 N6 Zr
Calculated formula	C36 H54 N6 Zr
SMILES	[C@@H]12CCCC[C@@H]2N2[Zr]3(N1C(=CC(=[N]3c1c(cccc1C)C)C)C)(N(C)C)([N](=C(C=C2C)C)c1c(cccc1C)C)N(C)C.[C@H]12CCCC[C@H]2N2[Zr]3(N1C(=CC(=[N]3c1c(cccc1C)C)C)C)(N(C)C)([N](=C(C=C2C)C)c1c(cccc1C)C)N(C)C
Title of publication	Exceptionally high lactide polymerization activity of zirconium complexes with bridged diketiminate ligands.
Authors of publication	El-Zoghbi, Ibrahim; Whitehorne, Todd J. J.; Schaper, Frank
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	25
Pages of publication	9376 - 9387
a	18.5065 ± 0.0003 Å
b	11.7278 ± 0.0002 Å
c	17.2506 ± 0.0004 Å
α	90°
β	112.842 ± 0.001°
γ	90°
Cell volume	3450.46 ± 0.12 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 K
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0275
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.0726
Weighted residual factors for all reflections included in the refinement	0.0728
Goodness-of-fit parameter for all reflections included in the refinement	1.098
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179926 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/21.	7022118.cif
89982	2013-11-17	cif/ Adding structures of 7022117, 7022118, 7022119, 7022120 via cif-deposit CGI script.	7022118.cif