Crystallography Open Database

Information card for entry 4112126

Preview

Coordinates	4112126.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H57 Cl Ir N P2
Calculated formula	C29 H57 Cl Ir N P2
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	8.4587 ± 0.0019 Å
b	11.443 ± 0.003 Å
c	17.379 ± 0.004 Å
α	78.694 ± 0.006°
β	78.537 ± 0.007°
γ	87.473 ± 0.006°
Cell volume	1616.6 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0535
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.0663
Weighted residual factors for all reflections included in the refinement	0.0692
Goodness-of-fit parameter for all reflections included in the refinement	0.914
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.	4112126.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4112126.cif
63747	2012-08-06	cif/ Adding structures of 4112126 via cif-deposit CGI script.	4112126.cif