Crystallography Open Database

Information card for entry 4087866

Preview

Coordinates	4087866.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C76 H80 B Cl F24 Ir2 N8 O8
Calculated formula	C76 H76 B Cl F24 Ir2 N8 O8
Title of publication	Iridium Complexes of the Conformationally Rigid IBioxMe4 Ligand: Hydride Complexes and Dehydrogenation of Cyclooctene
Authors of publication	Hauser, Simone A.; Tonner, Ralf; Chaplin, Adrian B.
Journal of publication	Organometallics
Year of publication	2015
Journal volume	34
Journal issue	17
Pages of publication	4419
a	13.50552 ± 0.00017 Å
b	22.2205 ± 0.0003 Å
c	30.8469 ± 0.0005 Å
α	90°
β	98.4554 ± 0.0013°
γ	90°
Cell volume	9156.5 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0617
Residual factor for significantly intense reflections	0.0392
Weighted residual factors for significantly intense reflections	0.0919
Weighted residual factors for all reflections included in the refinement	0.1008
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
237066 (current)	2019-11-24	cif/ Adding structures of 4087866, 4087867, 4087868, 4087869, 4087870, 4087871 via cif-deposit CGI script.	4087866.cif