Crystallography Open Database

Information card for entry 7707212

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Coordinates	7707212.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C108 H64 Cl2 F4 Ir2 N8
Calculated formula	C108 H64 Cl2 F4 Ir2 N8
Title of publication	Sterically hindered phenanthroimidazole ligands drive the structural flexibility and facile ligand exchange in cyclometalated iridium(III) complexes.
Authors of publication	Tatarin, Sergei V.; Kalle, Paulina; Taydakov, Ilya V.; Varaksina, Evgenia A.; Korshunov, Vladislav M.; Bezzubov, Stanislav I.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	20
Pages of publication	6889 - 6900
a	29.578 ± 0.01 Å
b	24.131 ± 0.008 Å
c	20.493 ± 0.008 Å
α	90°
β	126.799 ± 0.009°
γ	90°
Cell volume	11712 ± 7 Å³
Cell temperature	230 K
Ambient diffraction temperature	230 K
Number of distinct elements	6
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	0.0914
Residual factor for significantly intense reflections	0.0544
Weighted residual factors for significantly intense reflections	0.1315
Weighted residual factors for all reflections included in the refinement	0.1488
Goodness-of-fit parameter for all reflections included in the refinement	0.979
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266039 (current)	2021-06-05	cif/ Updating files of 7707205, 7707206, 7707207, 7707208, 7707209, 7707210, 7707211, 7707212, 7707213, 7707214, 7707215, 7707216, 7707217, 7707218 Original log message: Adding full bibliography for 7707205--7707218.cif.	7707212.cif
264609	2021-04-28	cif/ Adding structures of 7707205, 7707206, 7707207, 7707208, 7707209, 7707210, 7707211, 7707212, 7707213, 7707214, 7707215, 7707216, 7707217, 7707218 via cif-deposit CGI script.	7707212.cif