Crystallography Open Database

Information card for entry 7116172

Preview

Coordinates	7116172.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H36 F3 N2 Rh
Calculated formula	C24 H36 F3 N2 Rh
SMILES	[Rh]123(=C4N(C=CN4C4CCCCC4)C4CCCCC4)(C(F)(F)F)[CH]4=[CH]1CC[CH]2=[CH]3CC4
Title of publication	Fluoride, bifluoride and trifluoromethyl complexes of iridium(I) and rhodium(I)
Authors of publication	Byron J. Truscott; Fady Nahra; Alexandra M. Z. Slawin; David B. Cordes; Steven P. Nolan
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	62
a	10.015 ± 0.0006 Å
b	10.5165 ± 0.0009 Å
c	12.2179 ± 0.0009 Å
α	80.696 ± 0.011°
β	71.535 ± 0.009°
γ	71.882 ± 0.008°
Cell volume	1157.2 ± 0.17 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0569
Residual factor for significantly intense reflections	0.0535
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1281
Goodness-of-fit parameter for all reflections included in the refinement	0.999
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180275 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/61.	7116172.cif
129220	2014-12-30	cif/ Adding structures of 7116165, 7116166, 7116167, 7116168, 7116169, 7116170, 7116171, 7116172 via cif-deposit CGI script.	7116172.cif