Crystallography Open Database

Information card for entry 4110974

Preview

Coordinates	4110974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H63 Mg2 N3 O Si6
Calculated formula	C27 H63 Mg2 N3 O Si6
Title of publication	Kinetics and Mechanism of Ketone Enolization Mediated by Magnesium Bis(hexamethyldisilazide)
Authors of publication	Xuyang He; J. Jacob Morris; Bruce C. Noll; Seth N. Brown; Kenneth W. Henderson
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	13599 - 13610
a	9.0548 ± 0.0005 Å
b	14.5893 ± 0.0007 Å
c	15.6973 ± 0.0008 Å
α	84.429 ± 0.002°
β	83.604 ± 0.002°
γ	79.376 ± 0.002°
Cell volume	2019.2 ± 0.18 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0493
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0994
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.108
Diffraction radiation probe	x-ray
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
178880 (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 4/11/09.	4110974.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110974.cif
60181	2012-06-14	cif/ Adding structures of 4110974 via cif-deposit CGI script.	4110974.cif