Crystallography Open Database

Information card for entry 4066013

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Structure parameters

Formula	C39 H36 B Cl2 F4 N4 O4 P2 Rh
Calculated formula	C39 H36 B Cl2 F4 N4 O4 P2 Rh
Title of publication	Hemilabile P-Alkene Ligands in Chiral Rhodium and Copper Complexes: Catalytic Asymmetric 1,4 Additions to Enones. 2†,(1)
Authors of publication	Drinkel, Emma; Briceño, Alexander; Dorta, Reto; Dorta, Romano
Journal of publication	Organometallics
Year of publication	2010
Journal volume	29
Journal issue	11
Pages of publication	2503
a	12.926 ± 0.004 Å
b	12.53 ± 0.003 Å
c	13.177 ± 0.003 Å
α	90°
β	92.392 ± 0.007°
γ	90°
Cell volume	2132.3 ± 1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.106
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1554
Weighted residual factors for all reflections included in the refinement	0.1907
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
301829 (current)	2025-08-20	Add cross-references to PubChem compounds in COD range 4/06/ Each referenced PubChem compound corresponds to the full crystal structure.	4066013.cif
178504	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 4/06/60.	4066013.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4066013.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4066013.cif
33752	2012-02-13	../uploads/cif-deposit/cod/cif Adding structures of 4066013 via cif-deposit CGI script.	4066013.cif