Crystallography Open Database

Information card for entry 4340153

Preview

Coordinates	4340153.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H23 As I3 Ir O2
Calculated formula	C26.999 H23 As I3 Ir O1.999
Title of publication	Photochemical and time resolved spectroscopic studies of intermediates relevant to iridium-catalyzed methanol carbonylation: photoinduced CO migratory insertion.
Authors of publication	Volpe, Maurizio; Wu, Guang; Iretskii, Alexei; Ford, Peter C.
Journal of publication	Inorganic chemistry
Year of publication	2006
Journal volume	45
Journal issue	4
Pages of publication	1861 - 1870
a	10.5278 ± 0.0015 Å
b	12.0524 ± 0.0017 Å
c	12.4234 ± 0.0017 Å
α	71.549 ± 0.002°
β	85.826 ± 0.002°
γ	70.565 ± 0.002°
Cell volume	1409.2 ± 0.3 Å³
Cell temperature	110 ± 1 K
Ambient diffraction temperature	110 ± 1 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	0.0733
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.127
Weighted residual factors for all reflections included in the refinement	0.1367
Goodness-of-fit parameter for all reflections included in the refinement	1.06
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
179504 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/01.	4340153.cif
118652	2014-06-30	cif/ Adding structures of 4340152, 4340153, 4340154 via cif-deposit CGI script.	4340153.cif