Crystallography Open Database

Information card for entry 4084061

Preview

Coordinates	4084061.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H49 B F24 Ir P
Calculated formula	C60 H49 B F24 Ir P
Title of publication	1,4- and 1,3-Metal Migration in a Cp*IrIIIComplex: Experimental Evidence of Direct 1,3-Metal Migration
Authors of publication	Ikeda, Yousuke; Takano, Koichi; Kodama, Shintaro; Ishii, Youichi
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	15
Pages of publication	3998
a	12.4513 ± 0.0016 Å
b	14.0924 ± 0.0018 Å
c	16.869 ± 0.002 Å
α	84.555 ± 0.004°
β	79.232 ± 0.003°
γ	88.647 ± 0.004°
Cell volume	2894.7 ± 0.6 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 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 significantly intense reflections	0.0475
Weighted residual factors for all reflections included in the refinement	0.1063
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178729 (current)	2016-03-21	cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/40.	4084061.cif
123080	2014-09-06	cif/ Updating files of 4084059, 4084060, 4084061, 4084062 Original log message: Adding full bibliography for 4084059--4084062.cif.	4084061.cif
120663	2014-07-23	cif/ Adding structures of 4084059, 4084060, 4084061, 4084062 via cif-deposit CGI script.	4084061.cif