Crystallography Open Database

Information card for entry 4111319

Preview

Coordinates	4111319.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H39 Cl4 N2 O2 Rh
Calculated formula	C38 H39 Cl4 N2 O2 Rh
Title of publication	Quinone-Annulated N-Heterocyclic Carbene-Transition-Metal Complexes: Observation of π-Backbonding Using FT-IR Spectroscopy and Cyclic Voltammetry
Authors of publication	Matthew D. Sanderson; Justin W. Kamplain; Christopher W. Bielawski
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	16514 - 16515
a	23.6307 ± 0.0002 Å
b	9.7837 ± 0.0004 Å
c	17.1251 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3959.2 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	36
Hermann-Mauguin space group symbol	C m c 21
Hall space group symbol	C 2c -2
Residual factor for all reflections	0.0648
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1149
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.055
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
178884 (current)	2016-03-22	cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/13.	4111319.cif
120077	2014-07-12	Adding DOIs to range 4/11 structures.	4111319.cif
60844	2012-06-18	cif/ Adding structures of 4111319 via cif-deposit CGI script.	4111319.cif