Crystallography Open Database

Information card for entry 4113942

Preview

Coordinates	4113942.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H39 Cl N2 Zr
Calculated formula	C21 H39 Cl N2 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	9.218 ± 0.0013 Å
b	16.162 ± 0.002 Å
c	15.474 ± 0.002 Å
α	90°
β	92.584 ± 0.002°
γ	90°
Cell volume	2303 ± 0.5 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	5
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	0.0223
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0534
Weighted residual factors for all reflections included in the refinement	0.0544
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.	4113942.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113942.cif
67218	2012-09-20	cif/ Adding structures of 4113942 via cif-deposit CGI script.	4113942.cif