Crystallography Open Database

Information card for entry 4315366

Preview

Coordinates	4315366.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H27 F6 Ir N5 P
Calculated formula	C36 H27 F6 Ir N5 P
Title of publication	Boron Dipyrromethene (Bodipy) Phosphorescence Revealed in [Ir(ppy)2(bpy-C\τbC-Bodipy)]+
Authors of publication	Aaron A. Rachford; Raymond Ziessel; Thomas Bura; Pascal Retailleau; Felix N. Castellano
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	3730 - 3736
a	14.287 ± 0.002 Å
b	10.081 ± 0.001 Å
c	23.258 ± 0.004 Å
α	90°
β	98.83 ± 0.05°
γ	90°
Cell volume	3310.1 ± 0.9 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
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	0.0623
Residual factor for significantly intense reflections	0.0372
Weighted residual factors for significantly intense reflections	0.0882
Weighted residual factors for all reflections included in the refinement	0.0984
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179233 (current)	2016-03-23	cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/53.	4315366.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4315366.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4315366.cif
8521	2011-02-07	../uploads/cif-deposit/cod/cif Adding structures of 4315366 via cif-deposit CGI script.	4315366.cif