Crystallography Open Database

Information card for entry 4106067

Preview

Coordinates	4106067.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H54 B Mo N7 P
Calculated formula	C27.35 H36 B Mo N7 P
Title of publication	Nonhydride Mechanism of Metal-Catalyzed Hydrosilylation
Authors of publication	Oleg G. Shirobokov; Lyudmila G. Kuzmina; Georgii I. Nikonov
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	6487 - 6489
a	11.4352 ± 0.0004 Å
b	13.2 ± 0.0004 Å
c	20.9102 ± 0.0007 Å
α	90°
β	103.834 ± 0.001°
γ	90°
Cell volume	3064.73 ± 0.18 Å³
Cell temperature	143 ± 2 K
Ambient diffraction temperature	143 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0541
Residual factor for significantly intense reflections	0.0431
Weighted residual factors for significantly intense reflections	0.117
Weighted residual factors for all reflections included in the refinement	0.1235
Goodness-of-fit parameter for all reflections included in the refinement	1.09
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
178806 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/60.	4106067.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106067.cif
52857	2012-04-16	../uploads/cif-deposit/cod/cif Adding structures of 4106067 via cif-deposit CGI script.	4106067.cif