Crystallography Open Database

Information card for entry 4064794

Preview

Coordinates	4064794.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H39 B F6 N2 P2 Rh Sb
Calculated formula	C46 H39 B F6 N2 P2 Rh Sb
Title of publication	Lewis Acids and Lewis Acid-Functionalized Ligands in Rhodium-Catalyzed Methyl Acetate Carbonylation
Authors of publication	Conifer, Christopher M.; Law, David J.; Sunley, Glenn J.; White, Andrew J. P.; Britovsek, George J. P.
Journal of publication	Organometallics
Year of publication	2011
Journal volume	30
Journal issue	15
Pages of publication	4060
a	10.56293 ± 0.00004 Å
b	17.51545 ± 0.00007 Å
c	23.79538 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4402.49 ± 0.03 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	8
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0278
Residual factor for significantly intense reflections	0.0273
Weighted residual factors for significantly intense reflections	0.072
Weighted residual factors for all reflections included in the refinement	0.0724
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
178541 (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 4/06/47.	4064794.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064794.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064794.cif
33047	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064793, 4064794 via cif-deposit CGI script.	4064794.cif