Crystallography Open Database

Information card for entry 4335125

Preview

Coordinates	4335125.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H43 B13 Rh2
Calculated formula	C20 H43 B13 Rh2
SMILES	[c]12([c]3([c]4([c]5([c]1(C)[Rh]167892345[BH]234[BH]5%101[BH]1%116[BH]6%127[BH]7%138[BH]892[BH]29%13[BH]%13%14%127[BH]7%116[BH]651[BH]1%137[BH]59%14[BH]382[Rh]23784%10615[c]1([c]8([c]7([c]3([c]21C)C)C)C)C)C)C)C)C
Title of publication	Supraicosahedral Polyhedra in Metallaboranes: Synthesis and Structural Characterization of 12-, 15-, and 16-Vertex Rhodaboranes
Authors of publication	Dipak Kumar Roy; Bijan Mondal; Pritam Shankhari; R. S. Anju; K. Geetharani; Shaikh M. Mobin; Sundargopal Ghosh
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	6705 - 6712
a	12.0648 ± 0.0002 Å
b	16.269 ± 0.0003 Å
c	14.7494 ± 0.0003 Å
α	90°
β	100.717 ± 0.002°
γ	90°
Cell volume	2844.55 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
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	0.0394
Residual factor for significantly intense reflections	0.0311
Weighted residual factors for significantly intense reflections	0.0733
Weighted residual factors for all reflections included in the refinement	0.0777
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
179454 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/51.	4335125.cif
101030	2014-02-10	cif/ Adding structures of 4335125 via cif-deposit CGI script.	4335125.cif