Crystallography Open Database

Information card for entry 4073741

Preview

Coordinates	4073741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.5 H43 Cl N P Zr
Calculated formula	C46.5 H43 Cl N 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	8.412 ± 0.001 Å
b	11.119 ± 0.001 Å
c	22.698 ± 0.001 Å
α	81.52 ± 0.01°
β	79.7 ± 0.01°
γ	71.34 ± 0.01°
Cell volume	1969.7 ± 0.3 Å³
Cell temperature	198 ± 2 K
Ambient diffraction temperature	198 ± 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	0.0447
Residual factor for significantly intense reflections	0.0378
Weighted residual factors for significantly intense reflections	0.0978
Weighted residual factors for all reflections included in the refinement	0.1028
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
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.	4073741.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073741.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073741.cif
46519	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073741 via cif-deposit CGI script.	4073741.cif