Crystallography Open Database

Information card for entry 4335129

Preview

Coordinates	4335129.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H52 B7 Rh3
Calculated formula	C30 H52 B7 Rh3
SMILES	[BH]123[BH]456[BH]789[BH]%10%114[BH]415[BH]1%10[Rh]5%10%12%13%148%11([BH]87[Rh]7%11%15%16241%14([c]1([c]7([c]%11([c]%15([c]%161C)C)C)C)C)[Rh]12473698[c]3([c]7([c]4([c]2([c]13C)C)C)C)C)[c]1([c]%13([c]%12([c]%10([c]51C)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	8.4703 ± 0.0016 Å
b	11.329 ± 0.002 Å
c	18.337 ± 0.004 Å
α	97.356 ± 0.012°
β	92.284 ± 0.013°
γ	107.087 ± 0.012°
Cell volume	1662.5 ± 0.6 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2948
Residual factor for significantly intense reflections	0.0865
Weighted residual factors for significantly intense reflections	0.1541
Weighted residual factors for all reflections included in the refinement	0.223
Goodness-of-fit parameter for all reflections included in the refinement	0.917
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.	4335129.cif
101034	2014-02-10	cif/ Adding structures of 4335129 via cif-deposit CGI script.	4335129.cif