Crystallography Open Database

Information card for entry 4086875

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Coordinates	4086875.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,5-cyclooctadiene-n6-triphenylmethane iridium(I) tetrakis(3,5-trifluoromethylphenyl)borate
Formula	C59 H40 B F25.41 Ir
Calculated formula	C59 H40 B F25.484 Ir
Title of publication	Accessing δ-B‒H Coordinated Complexes of Rh(I) and Ir(I) Using Mono- and Dihydroboranes: Cooperative Stabilization by a Phosphoramidate Coligand
Authors of publication	Drover, Marcus W.; Bowes, Eric G.; Love, Jennifer A.; Schafer, Laurel L.
Journal of publication	Organometallics
Year of publication	2016
a	12.6001 ± 0.0014 Å
b	13.9638 ± 0.0015 Å
c	17.4035 ± 0.0018 Å
α	73.679 ± 0.006°
β	69.073 ± 0.006°
γ	74.54 ± 0.006°
Cell volume	2697.2 ± 0.5 Å³
Cell temperature	90 K
Ambient diffraction temperature	90 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	0.0362
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0832
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.062
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
189677 (current)	2017-01-01	cif/ Adding structures of 4086869, 4086870, 4086871, 4086872, 4086873, 4086874, 4086875, 4086876, 4086877, 4086878 via cif-deposit CGI script.	4086875.cif