Crystallography Open Database

Information card for entry 4081963

4081962 << 4081963 >> 4081964

Preview

Coordinates	4081963.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H56 Hf N4
Calculated formula	C32 H56 Hf N4
SMILES	[Hf]12([N](=C3C(N1c1c(cccc1C(C)C)C(C)C)=CCCC3)CCCC)([N](=C(N2C(C)C)C)C(C)C)(C)C
Title of publication	Preparation of New Olefin Polymerization Precatalysts by Facile Derivatization of Imino‒Enamido ZrMe3and HfMe3Complexes
Authors of publication	Klosin, Jerzy; Fontaine, Philip P.; Figueroa, Ruth; McCann, Scott D.; Mort, Darrek
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	21
Pages of publication	6488
a	13.2165 ± 0.0003 Å
b	16.1873 ± 0.0003 Å
c	15.9598 ± 0.0003 Å
α	90°
β	105.9 ± 0.001°
γ	90°
Cell volume	3283.8 ± 0.12 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.016
Residual factor for significantly intense reflections	0.0138
Weighted residual factors for significantly intense reflections	0.034
Weighted residual factors for all reflections included in the refinement	0.0355
Goodness-of-fit parameter for all reflections included in the refinement	1.093
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
178708 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/19.	4081963.cif
91819	2013-12-13	cif/ Adding structures of 4081956, 4081957, 4081958, 4081959, 4081960, 4081961, 4081962, 4081963 via cif-deposit CGI script.	4081963.cif