Crystallography Open Database

Information card for entry 4113945

Preview

Coordinates	4113945.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H48 Cl N3 Zr
Calculated formula	C26 H48 Cl N3 Zr
Title of publication	A Case for Asymmetric Hydrozirconation
Authors of publication	Yonghui Zhang; Richard J. Keaton; Lawrence R. Sita
Journal of publication	Journal of the American Chemical Society
Year of publication	2003
Journal volume	125
Pages of publication	8746 - 8747
a	10.2651 ± 0.0004 Å
b	16.8449 ± 0.0006 Å
c	17.0772 ± 0.0007 Å
α	73.56 ± 0.001°
β	87.602 ± 0.001°
γ	88.904 ± 0.001°
Cell volume	2829.61 ± 0.19 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.043
Residual factor for significantly intense reflections	0.0302
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.0847
Goodness-of-fit parameter for all reflections included in the refinement	1.085
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178910 (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 4/11/39.	4113945.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113945.cif
67221	2012-09-20	cif/ Adding structures of 4113945 via cif-deposit CGI script.	4113945.cif