Crystallography Open Database

Information card for entry 1502921

Preview

Coordinates	1502921.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	complex4
Chemical name	complex4
Formula	C17 H28 Cl N2 Rh
Calculated formula	C17 H28 Cl N2 Rh
SMILES	[Rh]123(Cl)([CH]4=[CH]2CC[CH]1=[CH]3CC4)=C1N(C(C)C)C=CN1C(C)C
Title of publication	Rhodium(NHC)-catalyzed amination of aryl bromides.
Authors of publication	Kim, Min; Chang, Sukbok
Journal of publication	Organic letters
Year of publication	2010
Journal volume	12
Journal issue	7
Pages of publication	1640 - 1643
a	10.7478 ± 0.0002 Å
b	12.6636 ± 0.0003 Å
c	26.7573 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	3641.82 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.035
Residual factor for significantly intense reflections	0.0287
Weighted residual factors for significantly intense reflections	0.0645
Weighted residual factors for all reflections included in the refinement	0.0668
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1502921.cif
91932	2013-12-28	cif/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the range 1 CIFs.	1502921.cif
36872	2012-03-01	../uploads/cif-deposit/cod/cif Adding structures of 1502921 via cif-deposit CGI script.	1502921.cif