Crystallography Open Database

Information card for entry 4079685

Preview

Coordinates	4079685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82.5 H104 Br4 N12 Zr2
Calculated formula	C82.5 H104 Br4 N12 Zr2
Title of publication	Migratory Insertion Reactions in Asymmetrical Guanidinate-Supported Zirconium Complexes
Authors of publication	Fernández-Galán, Rafael; Antiñolo, Antonio; Carrillo-Hermosilla, Fernando; López-Solera, Isabel; Otero, Antonio; Serrano-Laguna, Amparo; Villaseñor, Elena
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	23
Pages of publication	8360
a	9.572 ± 0.001 Å
b	17.2005 ± 0.0018 Å
c	26.67 ± 0.003 Å
α	103.345 ± 0.007°
β	93.393 ± 0.008°
γ	95.516 ± 0.008°
Cell volume	4237.6 ± 0.8 Å³
Cell temperature	260 ± 2 K
Ambient diffraction temperature	260 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2367
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1744
Weighted residual factors for all reflections included in the refinement	0.2627
Goodness-of-fit parameter for all reflections included in the refinement	0.848
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
178685 (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 4/07/96.	4079685.cif
107967	2014-03-25	cif/4 Changing the entity to the proper non-English character for many entries in subdir 4	4079685.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4079685.cif
72527	2013-01-21	cif/ Adding structures of 4079685, 4079686, 4079687 via cif-deposit CGI script.	4079685.cif