Crystallography Open Database

Information card for entry 7026137

Preview

Coordinates	7026137.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H62 Li2 O8 P4
Calculated formula	C60 H62 Li2 O8 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	11.5057 ± 0.0002 Å
b	15.9886 ± 0.0004 Å
c	32.4517 ± 0.0006 Å
α	92.367 ± 0.001°
β	90.741 ± 0.001°
γ	110.614 ± 0.001°
Cell volume	5580.4 ± 0.2 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1212
Residual factor for significantly intense reflections	0.0769
Weighted residual factors for significantly intense reflections	0.1765
Weighted residual factors for all reflections included in the refinement	0.2019
Goodness-of-fit parameter for all reflections included in the refinement	1.009
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
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.	7026137.cif
93415	2014-01-13	cif/ Adding structures of 7026133, 7026134, 7026135, 7026136, 7026137, 7026138 via cif-deposit CGI script.	7026137.cif