Crystallography Open Database

Information card for entry 4075815

Preview

Coordinates	4075815.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H32 Hf N2 O
Calculated formula	C24 H32 Hf N2 O
SMILES	[Hf]12345(n6cccc6C=[N]1c1ccc(OC)cc1)([c]1([c]2([c]3([c]4([c]51C)C)C)C)C)(C)C
Title of publication	Isoselective Living Polymerization of 1-Hexene Catalyzed by Half-Metallocene Dimethyl Complexes of Hafnium with Bidentate N-Substituted (Iminomethyl)pyrrolyl Ligands
Authors of publication	Yasumoto, Takahiro; Yamagata, Tsuneaki; Mashima, Kazushi
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	14
Pages of publication	3375
a	9.111 ± 0.0007 Å
b	9.5138 ± 0.0009 Å
c	14.4104 ± 0.0011 Å
α	103.118 ± 0.004°
β	98.306 ± 0.004°
γ	110.229 ± 0.004°
Cell volume	1106.98 ± 0.17 Å³
Cell temperature	110 ± 1 K
Ambient diffraction temperature	110 ± 1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0381
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0982
Weighted residual factors for all reflections included in the refinement	0.0992
Goodness-of-fit parameter for all reflections included in the refinement	1.141
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178647 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/58.	4075815.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075815.cif
50680	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075815 via cif-deposit CGI script.	4075815.cif