Crystallography Open Database

Information card for entry 7133173

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Coordinates	7133173.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C25 H47 Ir P2
Calculated formula	C25 H47 Ir P2
Title of publication	Tridentate κ<sup>3</sup>-<i>P</i>,<i>P</i>,<i>C</i> iridium complexes: influence of ligand saturation on intramolecular C-H bond activation.
Authors of publication	Demchuk, Mitchell J.; Zurakowski, Joseph A.; Drover, Marcus W.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	59
Pages of publication	7566 - 7569
a	10.0014 ± 0.0003 Å
b	17.1635 ± 0.0005 Å
c	28.5541 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	4901.6 ± 0.3 Å³
Cell temperature	170 K
Ambient diffraction temperature	170 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0238
Residual factor for significantly intense reflections	0.0204
Weighted residual factors for significantly intense reflections	0.0445
Weighted residual factors for all reflections included in the refinement	0.0465
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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