Crystallography Open Database

Information card for entry 4070480

Preview

Coordinates	4070480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H14 Zr
Calculated formula	C16 H14 Zr
Title of publication	A New Versatile Approach to Substituted Cyclopentadienyl−Cycloheptatrienyl Complexes of Zirconium (Trozircenes)
Authors of publication	Glöckner, Andreas; Tamm, Matthias; Arif, Atta M.; Ernst, Richard D.
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	24
Pages of publication	7041
a	6.9203 ± 0.0002 Å
b	8.3288 ± 0.0003 Å
c	11.0045 ± 0.0003 Å
α	90°
β	105.195 ± 0.0018°
γ	90°
Cell volume	612.1 ± 0.03 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	3
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0313
Residual factor for significantly intense reflections	0.0272
Weighted residual factors for significantly intense reflections	0.0612
Weighted residual factors for all reflections included in the refinement	0.0625
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4070480.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4070480.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070480.cif
40733	2012-03-08	../uploads/cif-deposit/cod/cif Adding structures of 4070477, 4070478, 4070479, 4070480, 4070481, 4070482 via cif-deposit CGI script.	4070480.cif