Crystallography Open Database

Information card for entry 4341666

Preview

Coordinates	4341666.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H43 B9 N P2 Rh S
Calculated formula	C36 H43 B9 N P2 Rh S
SMILES	[RhH]123([S]45[BH]678[BH]9%10%11[BH]146[BH]129[BH]24%10[BH]67%11[BH]74([H][BH]3127[NH3+])[BH]586)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	NH3-Promoted Ligand Lability in Eleven-Vertex Rhodathiaboranes.
Authors of publication	Calvo, Beatriz; Roy, Beatriz; Macías, Ramón; Artigas, Maria Jose; Lahoz, Fernando J.; Oro, Luis A.
Journal of publication	Inorganic chemistry
Year of publication	2014
Pages of publication	141110082111008
a	12.4394 ± 0.0009 Å
b	21.874 ± 0.0016 Å
c	14.4668 ± 0.001 Å
α	90°
β	110.568 ± 0.001°
γ	90°
Cell volume	3685.5 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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 all reflections	0.0464
Residual factor for significantly intense reflections	0.0389
Weighted residual factors for significantly intense reflections	0.0955
Weighted residual factors for all reflections included in the refinement	0.1014
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
179519 (current)	2016-03-23	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/16.	4341666.cif
127401	2014-11-16	cif/ Adding structures of 4341666 via cif-deposit CGI script.	4341666.cif