Crystallography Open Database

Information card for entry 4335130

Preview

Coordinates	4335130.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H66 B6 Rh4
Calculated formula	C40 H66 B6 Rh4
SMILES	[BH]123[BH]456[BH]789[BH]%10%11[Rh]%12%13%14%15158([c]1([c]%15([c]%14([c]%13([c]%121C)C)C)C)C)[Rh]158%12%13%143%11([BH]3%11[BH]47([Rh]47%15%169%10%133[c]3([c]%16([c]%15([c]7([c]43C)C)C)C)C)[Rh]347926%14%11[c]2([c]3([c]4([c]7([c]92C)C)C)C)C)[c]2([c]1([c]5([c]8([c]%122C)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	9.9008 ± 0.0004 Å
b	11.2362 ± 0.0004 Å
c	19.4008 ± 0.0007 Å
α	90.027 ± 0.002°
β	92.599 ± 0.002°
γ	108.663 ± 0.002°
Cell volume	2042.44 ± 0.13 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 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	0.0442
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0868
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	4335130.cif
101035	2014-02-10	cif/ Adding structures of 4335130 via cif-deposit CGI script.	4335130.cif