Crystallography Open Database

Information card for entry 7721001

Preview

Coordinates	7721001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H49 B9 P Rh
Calculated formula	C42 H49 B9 P Rh
Title of publication	Rhodacarborane complexes with a triphenylphosphonium substituent as efficient catalysts for on-water transfer hydrogenation of carbonyl compounds.
Authors of publication	Vinogradov, Mikhail M.; Nelyubina, Yulia V.; Godovikov, Ivan A.; Godovikova, Maria I.; Kharitonov, Vladimir B.; Podyacheva, Evgeniya S.; Rodionov, Alexey N.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2026
Journal volume	55
Journal issue	21
Pages of publication	8332 - 8342
a	10.5003 ± 0.0002 Å
b	19.699 ± 0.0003 Å
c	36.9753 ± 0.0005 Å
α	90°
β	92.319 ± 0.001°
γ	90°
Cell volume	7641.9 ± 0.2 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
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	0.0579
Residual factor for significantly intense reflections	0.0385
Weighted residual factors for significantly intense reflections	0.0749
Weighted residual factors for all reflections included in the refinement	0.0823
Goodness-of-fit parameter for all reflections included in the refinement	1.027
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
306439 (current)	2026-06-05	cif/ Updating files of 7721000, 7721001, 7721002 Original log message: Adding full bibliography for 7721000--7721002.cif.	7721001.cif
305895	2026-05-07	cif/ Adding structures of 7721000, 7721001, 7721002 via cif-deposit CGI script.	7721001.cif