Crystallography Open Database

Information card for entry 4335936

Preview

Coordinates	4335936.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H27 F10 Ir N5 O P
Calculated formula	C34 H27 F10 Ir N5 O P
Title of publication	Charged Bis-Cyclometalated Iridium(III) Complexes with Carbene-Based Ancillary Ligands
Authors of publication	Filippo Monti; Florian Kessler; Manuel Delgado; Julien Frey; Federico Bazzanini; Gianluca Accorsi; Nicola Armaroli; Henk J. Bolink; Enrique Ortí; Rosario Scopelliti; Md. Khaja Nazeeruddin; Etienne Baranoff
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	10292 - 10305
a	14.8273 ± 0.0015 Å
b	25.074 ± 0.003 Å
c	9.2908 ± 0.0011 Å
α	90°
β	107.276 ± 0.011°
γ	90°
Cell volume	3298.3 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0588
Residual factor for significantly intense reflections	0.0407
Weighted residual factors for significantly intense reflections	0.0817
Weighted residual factors for all reflections included in the refinement	0.0893
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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
179462 (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 4/33/59.	4335936.cif
101904	2014-02-19	cif/ Adding structures of 4335936 via cif-deposit CGI script.	4335936.cif