Crystallography Open Database

Information card for entry 4072439

Preview

Coordinates	4072439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H52 Cl N2 Rh
Calculated formula	C35 H52 Cl N2 Rh
SMILES	[Rh]123([CH]4=[CH]1CC[CH]2=[CH]3CC4)(Cl)=C(N(C)c1c(cccc1C(C)C)C(C)C)N(C)c1c(cccc1C(C)C)C(C)C
Title of publication	Synthesis and Study of the First N-Aryl Acyclic Diaminocarbene and Its Transition-Metal Complexes
Authors of publication	Rosen, Evelyn L.; Sanderson, Matthew D.; Saravanakumar, Shanmuganathan; Bielawski, Christopher W.
Journal of publication	Organometallics
Year of publication	2007
Journal volume	26
Journal issue	24
Pages of publication	5774
a	9.672 ± 0.0002 Å
b	17.937 ± 0.0005 Å
c	10.592 ± 0.0003 Å
α	90°
β	116.492 ± 0.0012°
γ	90°
Cell volume	1644.62 ± 0.08 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	5
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1066
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1464
Weighted residual factors for all reflections included in the refinement	0.1636
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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
178613 (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 4/07/24.	4072439.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4072439.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4072439.cif
45147	2012-03-20	../uploads/cif-deposit/cod/cif Adding structures of 4072439, 4072440, 4072441 via cif-deposit CGI script.	4072439.cif