Crystallography Open Database

Information card for entry 4102749

Preview

Coordinates	4102749.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C89 H131 Hf4 N4 O2 Si4
Calculated formula	C89 H131 Hf4 N4 O2 Si4
Title of publication	Carbon Monoxide-Induced Dinitrogen Cleavage with Group 4 Metallocenes: Reaction Scope and Coupling to N-H Bond Formation and CO Deoxygenation
Authors of publication	Donald J. Knobloch; Emil Lobkovsky; Paul J. Chirik
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	10553 - 10564
a	10.9609 ± 0.0006 Å
b	13.9203 ± 0.0007 Å
c	16.4943 ± 0.0009 Å
α	66.975 ± 0.002°
β	79.535 ± 0.002°
γ	68.141 ± 0.002°
Cell volume	2147.8 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0562
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0502
Weighted residual factors for all reflections included in the refinement	0.0566
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
178773 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/27.	4102749.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102749.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102749.cif
25666	2011-09-13	../uploads/cif-deposit/cod/cif Adding structures of 4102749 via cif-deposit CGI script.	4102749.cif