Crystallography Open Database

Information card for entry 7024972

Preview

Coordinates	7024972.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H37 B N7 O Rh S2
Calculated formula	C27 H37 B N7 O Rh S2
SMILES	[Rh]123(Sc4c(S1)cccc4)([n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C)[N]#CC.O1CCCC1
Title of publication	Heterolytic H2 activation by rhodium thiolato complexes bearing the hydrotris(pyrazolyl)borato ligand and application to catalytic hydrogenation under mild conditions.
Authors of publication	Seino, Hidetake; Misumi, Yoshiyuki; Hojo, Yoshihiro; Mizobe, Yasushi
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	12
Pages of publication	3072 - 3082
a	10.248 ± 0.002 Å
b	19.925 ± 0.004 Å
c	15.443 ± 0.003 Å
α	90°
β	101.751 ± 0.0007°
γ	90°
Cell volume	3087.2 ± 1.1 Å³
Cell temperature	293.1 K
Ambient diffraction temperature	293.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for significantly intense reflections	0.037
Weighted residual factors for all reflections included in the refinement	0.111
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7024972.cif
92771	2014-01-12	cif/ Adding structures of 7024971, 7024972, 7024973, 7024974 via cif-deposit CGI script.	7024972.cif