Crystallography Open Database

Information card for entry 4064251

Preview

Coordinates	4064251.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H62 Hf N2
Calculated formula	C47 H62 Hf N2
Title of publication	Synthesis of Imino-Enamido Hafnium and Zirconium Complexes: A New Family of Olefin Polymerization Catalysts with Ultrahigh-Molecular-Weight Capabilities
Authors of publication	Figueroa, Ruth; Froese, Robert D.; He, Yiyong; Klosin, Jerzy; Theriault, Curt N.; Abboud, Khalil A.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	6
Pages of publication	1695
a	15.6027 ± 0.0013 Å
b	11.8946 ± 0.001 Å
c	23.0992 ± 0.0019 Å
α	90°
β	98.535 ± 0.001°
γ	90°
Cell volume	4239.5 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0267
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.046
Weighted residual factors for all reflections included in the refinement	0.0476
Goodness-of-fit parameter for all reflections included in the refinement	1.035
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
178536 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/42.	4064251.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064251.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064251.cif
32828	2012-02-10	../uploads/cif-deposit/cod/cif Adding structures of 4064247, 4064248, 4064249, 4064250, 4064251, 4064252, 4064253 via cif-deposit CGI script.	4064251.cif