Crystallography Open Database

Information card for entry 7721000

7720999 << 7721000 >> 7721001

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Coordinates	7721000.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	12.2842 ± 0.0002 Å
b	12.8919 ± 0.0002 Å
c	13.3696 ± 0.0002 Å
α	104.905 ± 0.001°
β	109.655 ± 0.001°
γ	95.244 ± 0.001°
Cell volume	1889.67 ± 0.05 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0388
Residual factor for significantly intense reflections	0.0313
Weighted residual factors for significantly intense reflections	0.0648
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.01
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.	7721000.cif
305895	2026-05-07	cif/ Adding structures of 7721000, 7721001, 7721002 via cif-deposit CGI script.	7721000.cif