Crystallography Open Database

Information card for entry 7704173

Preview

Coordinates	7704173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 H44 Hf N2 Si
Calculated formula	C39 H44 Hf N2 Si
SMILES	[Hf]12(N([Si](c3[n]1c(ccc3)c1c2cccc1)(C)C)c1c(cccc1C(C)C)C(C)C)(Cc1ccccc1)Cc1ccccc1
Title of publication	Pyridylamido hafnium complexes with a silylene bridge: synthesis and olefin polymerization.
Authors of publication	Kulyabin, Pavel S.; Uborsky, Dmitry V.; Voskoboynikov, Alexander Z.; Canich, Jo Ann M.; Hagadorn, John R.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	20
Pages of publication	6693 - 6702
a	17.825 ± 0.0009 Å
b	11.1737 ± 0.0006 Å
c	18.7813 ± 0.0009 Å
α	90°
β	115.091 ± 0.001°
γ	90°
Cell volume	3387.7 ± 0.3 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	5
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	0.0301
Residual factor for significantly intense reflections	0.0243
Weighted residual factors for significantly intense reflections	0.0567
Weighted residual factors for all reflections included in the refinement	0.0586
Goodness-of-fit parameter for all reflections included in the refinement	1.055
Diffraction radiation probe	x-ray
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
252788 (current)	2020-06-05	cif/ Updating files of 7704173, 7704174, 7704175, 7704176 Original log message: Adding full bibliography for 7704173--7704176.cif.	7704173.cif
251117	2020-04-24	cif/ Adding structures of 7704173, 7704174, 7704175, 7704176 via cif-deposit CGI script.	7704173.cif