Crystallography Open Database

Information card for entry 4084892

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Coordinates	4084892.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C61 H49 B F24 Ir P
Calculated formula	C61 H49 B F24 Ir P
Title of publication	Reactivity of a Cationic (C5Me5)IrIII-Cyclometalated Phosphine Complex with Alkynes
Authors of publication	Espada, Mar\?ía F.; Poveda, Manuel L.; Carmona, Ernesto
Journal of publication	Organometallics
Year of publication	2014
Journal volume	33
Journal issue	24
Pages of publication	7164
a	12.297 ± 0.006 Å
b	13.021 ± 0.006 Å
c	19.632 ± 0.009 Å
α	88.07 ± 0.015°
β	73.434 ± 0.015°
γ	85.823 ± 0.016°
Cell volume	3005 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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