Crystallography Open Database

Information card for entry 4073605

Preview

Coordinates	4073605.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H32 Br N2 O Rh
Calculated formula	C27 H32 Br N2 O Rh
SMILES	[Rh]123(Br)(=C4N(OCc5ccccc5)C(=C(N4Cc4ccccc4)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	N-Alkoxyimidazolylidene Transition-Metal Complexes: Application to [5+2] and [4+2] Cycloaddition Reactions
Authors of publication	Gómez, Fernando J.; Kamber, Nahrain E.; Deschamps, Nicole M.; Cole, Adam P.; Wender, Paul A.; Waymouth, Robert M.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	18
Pages of publication	4541
a	10.8335 ± 0.001 Å
b	23.564 ± 0.002 Å
c	12.1408 ± 0.0011 Å
α	90°
β	113.284 ± 0.001°
γ	90°
Cell volume	2846.9 ± 0.4 Å³
Cell temperature	140 ± 2 K
Ambient diffraction temperature	140 ± 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	0.0732
Residual factor for significantly intense reflections	0.0399
Weighted residual factors for significantly intense reflections	0.08
Weighted residual factors for all reflections included in the refinement	0.0858
Goodness-of-fit parameter for all reflections included in the refinement	0.862
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178625 (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 4/07/36.	4073605.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4073605.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4073605.cif
46445	2012-03-21	../uploads/cif-deposit/cod/cif Adding structures of 4073605 via cif-deposit CGI script.	4073605.cif