Crystallography Open Database

Information card for entry 4339796

Preview

Coordinates	4339796.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(C6H11NC)12Rh3](AsF6)3
Formula	C84 H132 As3 F18 N12 Rh3
Calculated formula	C84 H132 As3 F18 N12 Rh3
Title of publication	Adventures in crystallization. Crystalline salts containing one, two, or even three chemically distinct cations obtained from solutions of [(cyclohexyl isocyanide)(4)Rh(I)]+.
Authors of publication	Tran, Ngon T.; Stork, Jay R.; Pham, David; Chancellor, Christopher J.; Olmstead, Marilyn M.; Fettinger, James C.; Balch, Alan L.
Journal of publication	Inorganic chemistry
Year of publication	2007
Journal volume	46
Journal issue	19
Pages of publication	7998 - 8007
a	14.137 ± 0.0015 Å
b	14.5845 ± 0.0015 Å
c	14.9187 ± 0.0015 Å
α	114.214 ± 0.002°
β	118.089 ± 0.002°
γ	90.083 ± 0.002°
Cell volume	2401.5 ± 0.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0471
Residual factor for significantly intense reflections	0.0418
Weighted residual factors for significantly intense reflections	0.1076
Weighted residual factors for all reflections included in the refinement	0.1108
Goodness-of-fit parameter for all reflections included in the refinement	1.051
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
179500 (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 4/33/97.	4339796.cif
117546	2014-06-15	cif/ Adding structures of 4339796 via cif-deposit CGI script.	4339796.cif