Crystallography Open Database

Information card for entry 4339823

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Structure parameters

Common name	04133
Formula	C26 H22 F6 Ir N4 P
Calculated formula	C26 H22 F6 Ir N4 P
Title of publication	Selective low-temperature syntheses of facial and meridional tris-cyclometalated iridium(III) complexes.
Authors of publication	McGee, Kari A.; Mann, Kent R.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7800 - 7809
a	8.8704 ± 0.0012 Å
b	18.131 ± 0.003 Å
c	25.655 ± 0.004 Å
α	93.993 ± 0.002°
β	96.938 ± 0.002°
γ	93.926 ± 0.002°
Cell volume	4073.6 ± 1.1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0849
Residual factor for significantly intense reflections	0.0503
Weighted residual factors for significantly intense reflections	0.0922
Weighted residual factors for all reflections included in the refinement	0.1005
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
301839 (current)	2025-08-21	Add cross-references to PubChem compounds in COD range 4/33/ Each referenced PubChem compound corresponds to the full crystal structure.	4339823.cif
179501	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 4/33/98.	4339823.cif
117563	2014-06-15	cif/ Adding structures of 4339819, 4339820, 4339821, 4339822, 4339823, 4339824 via cif-deposit CGI script.	4339823.cif