Crystallography Open Database

Information card for entry 4069784

Preview

Coordinates	4069784.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H48 Cl2 N2 Zr
Calculated formula	C36 H48 Cl2 N2 Zr
Title of publication	Functional Group Chemistry at the Group 4 Bent Metallocene Frameworks: Formation and “Metal-Free” Catalytic Hydrogenation of Bis(imino-Cp)zirconium Complexes
Authors of publication	Axenov, Kirill V.; Kehr, Gerald; Fröhlich, Roland; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	17
Pages of publication	5148
a	13.6288 ± 0.0002 Å
b	17.8192 ± 0.0003 Å
c	14.1609 ± 0.0002 Å
α	90°
β	91.922 ± 0.001°
γ	90°
Cell volume	3437.1 ± 0.09 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0822
Residual factor for significantly intense reflections	0.0438
Weighted residual factors for significantly intense reflections	0.0866
Weighted residual factors for all reflections included in the refinement	0.099
Goodness-of-fit parameter for all reflections included in the refinement	1.028
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
178586 (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 4/06/97.	4069784.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4069784.cif
40441	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4069778, 4069779, 4069780, 4069781, 4069782, 4069783, 4069784 via cif-deposit CGI script.	4069784.cif