Crystallography Open Database

Information card for entry 4081957

4081956 << 4081957 >> 4081958

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Structure parameters

Formula	C52.5 H78.5 Hf N5
Calculated formula	C52.5 H78.5 Hf N5
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	24.6355 ± 0.001 Å
b	20.2804 ± 0.0009 Å
c	39.6424 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	19806 ± 1.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0274
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0599
Goodness-of-fit parameter for all reflections included in the refinement	1.046
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301831 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/08/ Each referenced PubChem compound corresponds to the full crystal structure.	4081957.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4081957.cif
91819	2013-12-13	cif/ Adding structures of 4081956, 4081957, 4081958, 4081959, 4081960, 4081961, 4081962, 4081963 via cif-deposit CGI script.	4081957.cif