Crystallography Open Database

Information card for entry 4074561

Preview

Coordinates	4074561.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H34 Cl N2 O5 Rh
Calculated formula	C23 H34 Cl N2 O5 Rh
SMILES	[Rh]12(Cl)([N]3=C(OCC3(C)C)c3c2c(cc(c3)C(C)(C)C)C2=[N]1C(CO2)(C)C)([OH2])CC(=O)OC
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	10.064 ± 0.004 Å
b	11.05 ± 0.004 Å
c	23.182 ± 0.009 Å
α	90°
β	100.009 ± 0.009°
γ	90°
Cell volume	2538.8 ± 1.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
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	0.0475
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0895
Weighted residual factors for all reflections included in the refinement	0.0935
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
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.	4074561.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4074561.cif
48448	2012-03-26	../uploads/cif-deposit/cod/cif Adding structures of 4074560, 4074561 via cif-deposit CGI script.	4074561.cif