Crystallography Open Database

Information card for entry 7063912

Preview

Coordinates	7063912.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Dichlorotetrakis{2-[9-borabicyclo[3.3.1]nonan-9-yl]ethyl}(diphenyl)phosphine)}dirhodium
Formula	C88 H112 B4 Cl2 P4 Rh2
Calculated formula	C88 H112 B4 Cl2 P4 Rh2
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	12.2787 ± 0.0005 Å
b	14.2439 ± 0.0006 Å
c	25.4195 ± 0.001 Å
α	96.1831 ± 0.0012°
β	100.436 ± 0.0011°
γ	114.988 ± 0.0011°
Cell volume	3877.4 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0592
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.089
Weighted residual factors for all reflections included in the refinement	0.0942
Goodness-of-fit parameter for all reflections included in the refinement	1.075
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.	7063912.cif