Crystallography Open Database

Information card for entry 4076480

Preview

Coordinates	4076480.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H34 Cl N2 O2 Rh
Calculated formula	C29 H34 Cl N2 O2 Rh
SMILES	[Rh]123(Cl)(=C4N(C(=O)C(=O)N4c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	Reactivity of an Oxalamide-Based N-Heterocyclic Carbene
Authors of publication	Braun, Markus; Frank, Walter; Ganter, Christian
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	5
Pages of publication	1927
a	11.3659 ± 0.0007 Å
b	15.1471 ± 0.0006 Å
c	15.9812 ± 0.001 Å
α	90°
β	98.205 ± 0.007°
γ	90°
Cell volume	2723.2 ± 0.3 Å³
Cell temperature	291 ± 2 K
Ambient diffraction temperature	291 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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
178653 (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 4/07/64.	4076480.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4076480.cif
51970	2012-04-07	../uploads/cif-deposit/cod/cif Adding structures of 4076477, 4076478, 4076479, 4076480 via cif-deposit CGI script.	4076480.cif