Crystallography Open Database

Information card for entry 4074560

Preview

Coordinates	4074560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H41 Cl N3 O2 Rh
Calculated formula	C27 H32 Cl N3 O2 Rh
Title of publication	Carbon−Carbon Bond Formation on a Bis(oxazolinyl)phenyl−Rhodium Complex in a Reduction and Oxidative Addition Sequence
Authors of publication	Ito, Jun-ichi; Miyakawa, Takeshi; Nishiyama, Hisao
Journal of publication	Organometallics
Year of publication	2006
Journal volume	25
Journal issue	22
Pages of publication	5216
a	11.0643 ± 0.001 Å
b	11.9701 ± 0.0011 Å
c	21.7303 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	2878 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0692
Residual factor for significantly intense reflections	0.0545
Weighted residual factors for significantly intense reflections	0.1034
Weighted residual factors for all reflections included in the refinement	0.108
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
178634 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/45.	4074560.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074560.cif
48448	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074560, 4074561 via cif-deposit CGI script.	4074560.cif