Crystallography Open Database

Information card for entry 4081961

4081960 << 4081961 >> 4081962

Preview

Coordinates	4081961.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H56 Hf N2 O
Calculated formula	C32 H56 Hf N2 O
SMILES	[Hf]1(OC(C(C)C)(C(C)C)C)([N](=C2C(N1c1c(cccc1C(C)C)C(C)C)=CCCC2)CCCC)(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	20.27 ± 0.0005 Å
b	19.0646 ± 0.0005 Å
c	17.7746 ± 0.0005 Å
α	90°
β	107.439 ± 0.001°
γ	90°
Cell volume	6553.1 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0247
Residual factor for significantly intense reflections	0.0168
Weighted residual factors for significantly intense reflections	0.0324
Weighted residual factors for all reflections included in the refinement	0.0347
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	4081961.cif
169182	2015-10-18	cif/4: Fixing Z values and formulae	4081961.cif
91819	2013-12-13	cif/ Adding structures of 4081956, 4081957, 4081958, 4081959, 4081960, 4081961, 4081962, 4081963 via cif-deposit CGI script.	4081961.cif