Crystallography Open Database

Information card for entry 4104822

Preview

Coordinates	4104822.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55.63 H67 Ir N P2 Si
Calculated formula	C55.632 H67 Ir N P2 Si
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	49.248 ± 0.01 Å
b	9.3164 ± 0.0019 Å
c	26.135 ± 0.005 Å
α	90°
β	119.15 ± 0.03°
γ	90°
Cell volume	10472 ± 5 Å³
Cell temperature	178 ± 2 K
Ambient diffraction temperature	178 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0814
Residual factor for significantly intense reflections	0.0457
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	0.971
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
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.	4104822.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104822.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104822.cif
29852	2011-11-07	../uploads/cif-deposit/cod/cif Adding structures of 4104822 via cif-deposit CGI script.	4104822.cif