Crystallography Open Database

Information card for entry 4110241

Preview

Coordinates	4110241.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C37 H34 I O2 P2 Re
Calculated formula	C37 H33 I1.01 O2 P2 Re
Title of publication	Analysis of an Unprecedented Mechanism for the Catalytic Hydrosilylation of Carbonyl Compounds
Authors of publication	Kristine A. Nolin; Jennifer R. Krumper; Michael D. Pluth; Robert G. Bergman; F. Dean Toste
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	14684 - 14696
a	15.599 ± 0.003 Å
b	12.87 ± 0.003 Å
c	17.763 ± 0.003 Å
α	90°
β	104.936 ± 0.003°
γ	90°
Cell volume	3445.6 ± 1.2 Å³
Cell temperature	108.2 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	0.0448
Residual factor for significantly intense reflections	0.0448
Weighted residual factors for all reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.0562
Goodness-of-fit parameter for all reflections included in the refinement	2.334
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4110241.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4110241.cif
59221	2012-06-05	cif/4/ Setting up the svn:keywords property on the recently moved CIFs, so that the file checked out under English locales do not contain high-bit-set characters.	4110241.cif
59116	2012-06-03	smi/7 Adding SMILES for metal carbonyls. cif/4 Moving files wrongly appearing as 4/4xxyyzz.cif as 4/xx/yy/4xxyyzz.cif	4110241.cif