Crystallography Open Database

Information card for entry 4113944

Preview

Coordinates	4113944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H43 Cl N2 Si Zr
Calculated formula	C26 H43 Cl N2 Si 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	10.1335 ± 0.0003 Å
b	16.8281 ± 0.0005 Å
c	16.715 ± 0.0005 Å
α	90°
β	98.441 ± 0.001°
γ	90°
Cell volume	2819.49 ± 0.15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0267
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.0624
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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.	4113944.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4113944.cif
67220	2012-09-20	cif/ Adding structures of 4113944 via cif-deposit CGI script.	4113944.cif