Crystallography Open Database

Information card for entry 7029330

Preview

Coordinates	7029330.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H51 B9 F3 N O4 P2 Rh S2
Calculated formula	C33 H50 B9 F3 N O4 P2 Rh S2
Title of publication	Unusual cationic rhodathiaboranes: synthesis and characterization of [8,8,8-(H)(PR3)2-9-(Py)-nido-8,7-RhSB9H10](+) and [1,3-μ-(H)-1,1-(PR3)2-3-(Py)-isonido-1,2-RhSB9H8](+).
Authors of publication	Calvo, Beatriz; Macías, Ramón; Artigas, Maria Jose; Lahoz, Fernando J.; Oro, Luis A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	13
Pages of publication	5121 - 5133
a	30.936 ± 0.005 Å
b	17.832 ± 0.003 Å
c	15.995 ± 0.003 Å
α	90°
β	106.754 ± 0.002°
γ	90°
Cell volume	8449 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0517
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0884
Weighted residual factors for all reflections included in the refinement	0.0969
Goodness-of-fit parameter for all reflections included in the refinement	1.073
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7029330.cif
107122	2014-03-17	cif/ Adding structures of 7029329, 7029330 via cif-deposit CGI script.	7029330.cif