Crystallography Open Database

Information card for entry 4064793

Preview

Coordinates	4064793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C45 H35 B Cl2 F6 O2 P2 Rh Sb
Calculated formula	C45 H35 B Cl2 F6 O2 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	18.4627 ± 0.0003 Å
b	15.58519 ± 0.00017 Å
c	15.9429 ± 0.0002 Å
α	90°
β	110.062 ± 0.0017°
γ	90°
Cell volume	4309.14 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0666
Residual factor for significantly intense reflections	0.0377
Weighted residual factors for significantly intense reflections	0.0928
Weighted residual factors for all reflections included in the refinement	0.1055
Goodness-of-fit parameter for all reflections included in the refinement	0.975
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
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.	4064793.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4064793.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4064793.cif
33047	2012-02-11	../uploads/cif-deposit/cod/cif Adding structures of 4064793, 4064794 via cif-deposit CGI script.	4064793.cif