Crystallography Open Database

Information card for entry 7024974

Preview

Coordinates	7024974.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H36 B N6 O3 Rh S
Calculated formula	C26 H36 B N6 O3 Rh S
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	10.137 ± 0.002 Å
b	18.086 ± 0.003 Å
c	15.833 ± 0.003 Å
α	90°
β	102.794 ± 0.0008°
γ	90°
Cell volume	2830.7 ± 0.9 Å³
Cell temperature	113.1 K
Ambient diffraction temperature	113.1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for significantly intense reflections	0.0254
Weighted residual factors for all reflections included in the refinement	0.0527
Goodness-of-fit parameter for all reflections included in the refinement	1.058
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.	7024974.cif
92771	2014-01-12	cif/ Adding structures of 7024971, 7024972, 7024973, 7024974 via cif-deposit CGI script.	7024974.cif