Crystallography Open Database

Information card for entry 7063910

Preview

Coordinates	7063910.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	chloro-[(1,2,5,6-η)-cycloocta-1,5-diene]-[{9-[2-(diphenylphosphanyl)ethyl]-9λ5-borabicyclo[3.3.1]nonan-9-yl}(ethylidyne)-λ5-azane]-iridium
Formula	C32 H43 B Cl Ir N P
Calculated formula	C32 H43 B Cl Ir N P
Title of publication	Primary and Secondary Coordination Sphere Lewis Acid Interactions in β-Phosphinoethylborane-ligated Rhodium and Iridium Complexes
Authors of publication	Nichols, Brian Robert; Petersen, Jeffrey L.; Dolinar, Brian; Popp, Brian V.
Journal of publication	New Journal of Chemistry
Year of publication	2025
a	9.8906 ± 0.0009 Å
b	12.8325 ± 0.0013 Å
c	13.14 ± 0.0013 Å
α	114.412 ± 0.002°
β	93.805 ± 0.002°
γ	92.019 ± 0.002°
Cell volume	1511.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0492
Residual factor for significantly intense reflections	0.04
Weighted residual factors for significantly intense reflections	0.1012
Weighted residual factors for all reflections included in the refinement	0.1074
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301351 (current)	2025-07-24	cif/ Adding structures of 7063906, 7063907, 7063908, 7063909, 7063910, 7063911, 7063912 via cif-deposit CGI script.	7063910.cif