Crystallography Open Database

Information card for entry 7063012

Preview

Coordinates	7063012.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H50 B F4 P2 Rh
Calculated formula	C48 H50 B F4 P2 Rh
SMILES	[Rh]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[C]4(=[C]1([C]2(=[C]34CC)CC)CC)CC.[B](F)(F)(F)[F-]
Title of publication	Catalytic activity of cyclobutadiene rhodium complexes in hydrosilylation and other transformations of alkynes
Authors of publication	Petrushina, Tatiana N.; Nelyubina, Yulia V.; Perekalin, Dmitry S.; Shvydkiy, Nikita V.
Journal of publication	New Journal of Chemistry
Year of publication	2024
Journal volume	48
Journal issue	9
Pages of publication	3952 - 3956
a	10.7322 ± 0.0002 Å
b	26.2556 ± 0.0005 Å
c	14.7421 ± 0.0003 Å
α	90°
β	96.035 ± 0.001°
γ	90°
Cell volume	4131.01 ± 0.14 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0742
Residual factor for significantly intense reflections	0.0428
Weighted residual factors for significantly intense reflections	0.0762
Weighted residual factors for all reflections included in the refinement	0.0884
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
290247 (current)	2024-03-04	cif/ Updating files of 7063011, 7063012 Original log message: Adding full bibliography for 7063011--7063012.cif.	7063012.cif
289747	2024-02-08	cif/ Adding structures of 7063011, 7063012 via cif-deposit CGI script.	7063012.cif