Crystallography Open Database

Information card for entry 7134586

Preview

Coordinates	7134586.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H42 F6 Ir N3 O P2
Calculated formula	C44 H42 F6 Ir N3 O P2
Title of publication	Cyclometallated phosphonium ylide-based iridium(iii) photocatalysts
Authors of publication	Fayafrou, Oussama; Zanzi, Juliette; Duhayon, Carine; Sortais, Jean-Baptiste; Baslé, Olivier; Canac, Yves
Journal of publication	Chemical Communications
Year of publication	2025
Journal volume	61
Journal issue	54
Pages of publication	9932 - 9935
a	10.7418 ± 0.0002 Å
b	13.3809 ± 0.0002 Å
c	15.7147 ± 0.0002 Å
α	103.603 ± 0.001°
β	109.915 ± 0.002°
γ	91.657 ± 0.002°
Cell volume	2049.36 ± 0.06 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for all reflections	0.0853
Weighted residual factors for significantly intense reflections	0.0837
Weighted residual factors for all reflections included in the refinement	0.0853
Goodness-of-fit parameter for all reflections included in the refinement	1.0104
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
300519 (current)	2025-07-06	cif/ Updating files of 7134586, 7134587 Original log message: Adding full bibliography for 7134586--7134587.cif.	7134586.cif
299813	2025-05-27	cif/ Adding structures of 7134586, 7134587 via cif-deposit CGI script.	7134586.cif