Crystallography Open Database

Information card for entry 7029329

Preview

Coordinates	7029329.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86 H124 B27 Cl10 F9 N3 O9 P6 Rh3 S6
Calculated formula	C86 H121 B27 Cl10 F9 N3 O9 P6 Rh3 S6
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	15.722 ± 0.003 Å
b	17.815 ± 0.004 Å
c	23.47 ± 0.005 Å
α	106.782 ± 0.004°
β	96.41 ± 0.004°
γ	94.265 ± 0.004°
Cell volume	6215 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	10
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1838
Residual factor for significantly intense reflections	0.0747
Weighted residual factors for significantly intense reflections	0.1485
Weighted residual factors for all reflections included in the refinement	0.1906
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
179999 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/93.	7029329.cif
107122	2014-03-17	cif/ Adding structures of 7029329, 7029330 via cif-deposit CGI script.	7029329.cif