Crystallography Open Database

Information card for entry 4087605

Preview

Coordinates	4087605.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ir2Cp*2H3][BArF4]
Formula	C52 H42 B F24 Ir2
Calculated formula	C52 H42 B F24 Ir2
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	10.829 ± 0.0002 Å
b	12.6902 ± 0.0002 Å
c	19.982 ± 0.0004 Å
α	91.0343 ± 0.0007°
β	97.3543 ± 0.0007°
γ	98.1876 ± 0.0008°
Cell volume	2693.78 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0778
Residual factor for significantly intense reflections	0.0433
Weighted residual factors for all reflections	0.0944
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0944
Goodness-of-fit parameter for all reflections included in the refinement	0.9233
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.	4087605.cif