Crystallography Open Database

Information card for entry 4070531

Preview

Coordinates	4070531.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C17 H19 Br17 Cl4 Zr5
Calculated formula	C17 H19 Br17 Cl4 Zr5
Title of publication	Isolation and Characterization of Bromination Products of Zr(C5H5)2Br2
Authors of publication	Glöckner, Andreas; Arif, Atta M.; Ernst, Richard D.
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	3
Pages of publication	327
a	17.1182 ± 0.0003 Å
b	17.3886 ± 0.0003 Å
c	17.2162 ± 0.0004 Å
α	90°
β	111.866 ± 0.0007°
γ	90°
Cell volume	4755.92 ± 0.16 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/a 1
Hall space group symbol	-P 2yab
Residual factor for all reflections	0.1055
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.1172
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
178594 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/05.	4070531.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070531.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070531.cif
42545	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070531 via cif-deposit CGI script.	4070531.cif