Crystallography Open Database

Information card for entry 7721002

Preview

Coordinates	7721002.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C41 H49 B9 N O2.5 P Rh
Calculated formula	C39 H44 B9 N O2 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	18.6491 ± 0.0003 Å
b	21.7922 ± 0.0004 Å
c	22.7209 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	9233.9 ± 0.3 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0305
Residual factor for significantly intense reflections	0.0278
Weighted residual factors for significantly intense reflections	0.0683
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.042
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	7721002.cif
305895	2026-05-07	cif/ Adding structures of 7721000, 7721001, 7721002 via cif-deposit CGI script.	7721002.cif