Crystallography Open Database

Information card for entry 4063372

Preview

Coordinates	4063372.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H40 Hf N2
Calculated formula	C22 H40 Hf N2
SMILES	[Hf]1(N(C(C(=[N]1CC)C)(C)C)c1c(cccc1C(C)C)C(C)C)(C)(C)C
Title of publication	Imino-Amido Hf and Zr Complexes: Synthesis, Isomerization, and Olefin Polymerization
Authors of publication	Froese, Robert D. J.; Jazdzewski, Brian A.; Klosin, Jerzy; Kuhlman, Roger L.; Theriault, Curt N.; Welsh, Dean M.; Abboud, Khalil A.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	2
Pages of publication	251 - 262
a	30.544 ± 0.004 Å
b	9.7191 ± 0.001 Å
c	17.1078 ± 0.0018 Å
α	90°
β	110.61 ± 0.003°
γ	90°
Cell volume	4753.6 ± 0.9 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 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	0.039
Residual factor for significantly intense reflections	0.0334
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0875
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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
178528 (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 4/06/33.	4063372.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4063372.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4063372.cif
17029	2011-04-01	../uploads/cif-deposit/cod/cif Adding structures of 4063369, 4063370, 4063371, 4063372 via cif-deposit CGI script.	4063372.cif