Crystallography Open Database

Information card for entry 4087606

Preview

Coordinates	4087606.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C66 H56 B F24 Ir N O3 P Si
Calculated formula	C66 H56 B F24 Ir N O3 P Si
Title of publication	Reactivity of an Unsaturated Iridium(III) Phosphoramidate Complex, [Cp*Ir{κ2-N,O}][BArF4]
Authors of publication	Drover, Marcus W.; Johnson, Heather C.; Schafer, Laurel L.; Love, Jennifer A.; Weller, Andrew S.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	15
Pages of publication	3849
a	12.3952 ± 0.0019 Å
b	15.021 ± 0.002 Å
c	18.869 ± 0.003 Å
α	71.324 ± 0.003°
β	80.182 ± 0.003°
γ	84.966 ± 0.003°
Cell volume	3277.4 ± 0.8 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0438
Residual factor for significantly intense reflections	0.038
Weighted residual factors for significantly intense reflections	0.0927
Weighted residual factors for all reflections included in the refinement	0.0966
Goodness-of-fit parameter for all reflections included in the refinement	1.103
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
236869 (current)	2019-11-24	cif/ Adding structures of 4087604, 4087605, 4087606, 4087607 via cif-deposit CGI script.	4087606.cif