Crystallography Open Database

Information card for entry 4104825

Preview

Coordinates	4104825.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H66 B11 Br6 Ir N P2 Si2
Calculated formula	C51 H66 B11 Br6 Ir N P2 Si2
Title of publication	Synthesis and Structure of PNP-Supported Iridium Silyl and Silylene Complexes: Catalytic Hydrosilation of Alkenes
Authors of publication	Elisa Calimano; T. Don Tilley
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	11161 - 11173
a	11.9761 ± 0.0006 Å
b	16.7276 ± 0.0008 Å
c	19.2367 ± 0.0009 Å
α	70.984 ± 0.001°
β	77.004 ± 0.001°
γ	89.949 ± 0.001°
Cell volume	3539.1 ± 0.3 Å³
Cell temperature	135 ± 2 K
Ambient diffraction temperature	135 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0582
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	0.989
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
178794 (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 4/10/48.	4104825.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104825.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104825.cif
29855	2011-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4104825 via cif-deposit CGI script.	4104825.cif