Crystallography Open Database

Information card for entry 4073742

Preview

Coordinates	4073742.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H24 Cl F10 O0.5 P Zr
Calculated formula	C40 H24 Cl F10 O0.5 P Zr
Title of publication	Formation and Structural and Dynamic Features of Atropisomeric η2-Iminoacyl Zirconium Complexes
Authors of publication	Spies, Patrick; Kehr, Gerald; Kehr, Seda; Fröhlich, Roland; Erker, Gerhard
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	23
Pages of publication	5612
a	21.386 ± 0.001 Å
b	10.982 ± 0.001 Å
c	30.684 ± 0.001 Å
α	90°
β	95.67 ± 0.01°
γ	90°
Cell volume	7171.2 ± 0.8 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 2 K
Number of distinct elements	7
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	0.0869
Residual factor for significantly intense reflections	0.0492
Weighted residual factors for significantly intense reflections	0.0894
Weighted residual factors for all reflections included in the refinement	0.1015
Goodness-of-fit parameter for all reflections included in the refinement	1.026
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4073742.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073742.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073742.cif
46520	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073742 via cif-deposit CGI script.	4073742.cif