Crystallography Open Database

Information card for entry 4104824

Preview

Coordinates	4104824.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C84 H116 B22 Br12 F Ir2 N2 P4 Si2
Calculated formula	C84 H116 B22 Br12 F Ir2 N2 P4 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	10.3748 ± 0.0017 Å
b	13.775 ± 0.002 Å
c	19.886 ± 0.003 Å
α	79.423 ± 0.003°
β	80.422 ± 0.003°
γ	80.345 ± 0.003°
Cell volume	2727 ± 0.7 Å³
Cell temperature	159 ± 2 K
Ambient diffraction temperature	159 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.08
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.0947
Weighted residual factors for all reflections included in the refinement	0.1052
Goodness-of-fit parameter for all reflections included in the refinement	0.968
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
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.	4104824.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104824.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104824.cif
29854	2011-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4104824 via cif-deposit CGI script.	4104824.cif