Crystallography Open Database

Information card for entry 4068465

Preview

Coordinates	4068465.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	C51 H45 Cl F3 O3 P2 Rh S
Calculated formula	C51 H45 Cl F3 O3 P2 Rh S
Title of publication	Facile Single or Double C−H Bond Activation on a Cp* Ligand Promoted by the Presence of Alkynylphosphine Ligands
Authors of publication	Bernechea, María; Berenguer, Jesús R.; Lalinde, Elena; Torroba, Javier
Journal of publication	Organometallics
Year of publication	2009
Journal volume	28
Journal issue	1
Pages of publication	312
a	15.465 ± 0.0003 Å
b	15.086 ± 0.0003 Å
c	19.014 ± 0.0004 Å
α	90°
β	90.517 ± 0.001°
γ	90°
Cell volume	4435.88 ± 0.15 Å³
Cell temperature	123 ± 1 K
Ambient diffraction temperature	123 ± 1 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.1131
Residual factor for significantly intense reflections	0.0861
Weighted residual factors for significantly intense reflections	0.2357
Weighted residual factors for all reflections included in the refinement	0.2644
Goodness-of-fit parameter for all reflections included in the refinement	1.039
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
178574 (current)	2016-03-21	cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/84.	4068465.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4068465.cif
39778	2012-03-07	../uploads/cif-deposit/cod/cif Adding structures of 4068465, 4068466 via cif-deposit CGI script.	4068465.cif