Crystallography Open Database

Information card for entry 4335336

Preview

Coordinates	4335336.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H27 F12 N7 O P2 Ru
Calculated formula	C33 H27 F12 N7 O P2 Ru
Title of publication	Electrochemiluminescent Ruthenium(II) N-Heterocyclic Carbene Complexes: a Combined Experimental and Theoretical Study
Authors of publication	Gregory J. Barbante; Paul S. Francis; Conor F. Hogan; Peyman R. Kheradmand; David J. D. Wilson; Peter J. Barnard
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	7448 - 7459
a	40.444 ± 0.008 Å
b	10.14 ± 0.002 Å
c	19.104 ± 0.004 Å
α	90°
β	113.84 ± 0.03°
γ	90°
Cell volume	7166 ± 3 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	7
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0382
Residual factor for significantly intense reflections	0.0345
Weighted residual factors for significantly intense reflections	0.0876
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.061
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179456 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/53.	4335336.cif
101262	2014-02-11	cif/ Adding structures of 4335336 via cif-deposit CGI script.	4335336.cif