Crystallography Open Database

Information card for entry 2241322

Preview

Structure parameters

Chemical name	Bis{μ~2~-[(2-iminocyclopentylidene)methylidene]azanido-κ^2^<i>N</i>:<i>N</i>'}bis[(η^5^-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate
Formula	C58 H86 N4 Zr2
Calculated formula	C58 H86 N4 Zr2
Title of publication	Crystal structure of bis{μ~2~-[(2-iminocyclopentylidene)methylidene]azanido-κ^2^<i>N</i>:<i>N</i>'}bis[(η^5^-pentamethylcyclopentadienyl)zirconium(IV)] hexane monosolvate
Authors of publication	Becker, Lisanne; Spannenberg, Anke; Arndt, Perdita; Rosenthal, Uwe
Journal of publication	Acta Crystallographica Section E
Year of publication	2015
Journal volume	71
Journal issue	12
Pages of publication	m219 - m220
a	13.4862 ± 0.0008 Å
b	16.9048 ± 0.0011 Å
c	13.0151 ± 0.0008 Å
α	90°
β	117.723 ± 0.0015°
γ	90°
Cell volume	2626.6 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0412
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0883
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	Yes

Version history

Revision	Date	Message	Files
181914 (current)	2016-04-06	hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/13.	2241322.cif 2241322.hkl
170334	2015-11-15	cif/ hkl/ Adding structures of 2241322 via cif-deposit CGI script.	2241322.cif 2241322.hkl