Crystallography Open Database

Information card for entry 7063909

Preview

Coordinates	7063909.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H40 B Cl Ir P
Calculated formula	C30 H40 B Cl Ir 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	10.9766 ± 0.0006 Å
b	11.6327 ± 0.0007 Å
c	12.9516 ± 0.0007 Å
α	65.439 ± 0.001°
β	75.541 ± 0.001°
γ	62.301 ± 0.001°
Cell volume	1328.48 ± 0.13 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.052
Residual factor for significantly intense reflections	0.0414
Weighted residual factors for significantly intense reflections	0.0825
Weighted residual factors for all reflections included in the refinement	0.086
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Diffraction radiation X-ray symbol	K-L~3~
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.	7063909.cif