Crystallography Open Database

Information card for entry 7026136

Preview

Coordinates	7026136.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H62 I Ir O5 P4
Calculated formula	C60 H59 I Ir O5 P4
Title of publication	An iridium-mediated C-H activation/CO2-carboxylation reaction of 1,1-bisdiphenylphosphinomethane.
Authors of publication	Langer, Jens; Fabra, María José; García-Orduña, Pilar; Lahoz, Fernando J.; Görls, Helmar; Oro, Luis A.; Westerhausen, Matthias
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	33
Pages of publication	7813 - 7821
a	12.3388 ± 0.0007 Å
b	13.1005 ± 0.0007 Å
c	17.6742 ± 0.001 Å
α	84.285 ± 0.002°
β	79.868 ± 0.002°
γ	79.862 ± 0.002°
Cell volume	2761.5 ± 0.3 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	0.0696
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1683
Weighted residual factors for all reflections included in the refinement	0.1739
Goodness-of-fit parameter for all reflections included in the refinement	1.018
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
179967 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/61.	7026136.cif
93415	2014-01-13	cif/ Adding structures of 7026133, 7026134, 7026135, 7026136, 7026137, 7026138 via cif-deposit CGI script.	7026136.cif