Crystallography Open Database

Information card for entry 7712058

7712057 << 7712058 >> 7712059

Preview

Coordinates	7712058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C78 H41 B Cl2 F36 Ir N O2 P2
Calculated formula	C78 H41 B Cl2 F36 Ir N O2 P2
Title of publication	Iridium complexes of an <i>ortho</i>-trifluoromethylphenyl substituted PONOP pincer ligand.
Authors of publication	Poole, Ethan W.; Bustos, Itxaso; Hood, Thomas M.; Smart, Jennifer E.; Chaplin, Adrian B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2023
Journal volume	52
Journal issue	4
Pages of publication	1096 - 1104
a	13.84188 ± 0.00016 Å
b	16.00726 ± 0.00018 Å
c	18.2641 ± 0.0002 Å
α	83.9191 ± 0.001°
β	81.3532 ± 0.001°
γ	79.1239 ± 0.001°
Cell volume	3916.37 ± 0.08 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	9
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0377
Residual factor for significantly intense reflections	0.0365
Weighted residual factors for significantly intense reflections	0.096
Weighted residual factors for all reflections included in the refinement	0.0975
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
283274 (current)	2023-05-05	cif/ Updating files of 7712055, 7712056, 7712057, 7712058, 7712059 Original log message: Adding full bibliography for 7712055--7712059.cif.	7712058.cif
280134	2023-01-06	cif/ Adding structures of 7712055, 7712056, 7712057, 7712058, 7712059 via cif-deposit CGI script.	7712058.cif