Crystallography Open Database

Information card for entry 4112124

Preview

Coordinates	4112124.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H49 B Cl2 Ir O2 P
Calculated formula	C40 H49 B Cl2 Ir O2 P
Title of publication	C-H Activations at Iridium(I) Square-Planar Complexes Promoted by a Fifth Ligand
Authors of publication	Marta Martín; Olga Torres; Enrique Oñate; Eduardo Sola; Luis A. Oro
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Pages of publication	18074 - 18084
a	12.976 ± 0.003 Å
b	12.175 ± 0.003 Å
c	23.421 ± 0.006 Å
α	90°
β	91.686 ± 0.005°
γ	90°
Cell volume	3698.5 ± 1.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
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	0.0876
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.0639
Weighted residual factors for all reflections included in the refinement	0.0713
Goodness-of-fit parameter for all reflections included in the refinement	0.848
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
178892 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/21.	4112124.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112124.cif
63745	2012-08-06	cif/ Adding structures of 4112124 via cif-deposit CGI script.	4112124.cif