Crystallography Open Database

Information card for entry 1576962

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Coordinates	1576962.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H37 Cl2 F10 Ir N5 P
Calculated formula	C42 H37 Cl2 F10 Ir N5 P
Title of publication	On-complex three-component cascade reactions involving phosphorescent cyclometalated Ir(iii) chloro-isocyanide complexes, nitriles, and propylamine
Authors of publication	Phan, Son N. T.; Dang, Vinh Q.; Teets, Thomas S.
Journal of publication	Chemical Science
Year of publication	2026
a	9.8521 ± 0.0004 Å
b	11.6556 ± 0.0005 Å
c	18.7639 ± 0.0008 Å
α	83.419 ± 0.001°
β	77.668 ± 0.001°
γ	88.607 ± 0.001°
Cell volume	2091.11 ± 0.15 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	149.99 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	0.0268
Residual factor for significantly intense reflections	0.0238
Weighted residual factors for significantly intense reflections	0.0565
Weighted residual factors for all reflections included in the refinement	0.0579
Goodness-of-fit parameter for all reflections included in the refinement	1.051
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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