Crystallography Open Database

Information card for entry 4111821

Preview

Coordinates	4111821.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Zirconocenechloridedisilenide
Formula	C61 H93 Cl Si2 Zr
Calculated formula	C61 H93 Cl Si2 Zr
Title of publication	Activation of a SiSi Bond by η1-Coordination to a Transition Metal
Authors of publication	Thi-loan Nguyen; David Scheschkewitz
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	10174 - 10175
a	10.5012 ± 0.001 Å
b	13.497 ± 0.0013 Å
c	22.406 ± 0.002 Å
α	74.515 ± 0.002°
β	81.705 ± 0.002°
γ	87.295 ± 0.002°
Cell volume	3028.3 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 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	0.0491
Residual factor for significantly intense reflections	0.0404
Weighted residual factors for significantly intense reflections	0.1116
Weighted residual factors for all reflections included in the refinement	0.1176
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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
178889 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/18.	4111821.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111821.cif
63433	2012-08-01	cif/ Adding structures of 4111821 via cif-deposit CGI script.	4111821.cif