Crystallography Open Database

Information card for entry 4339797

Preview

Coordinates	4339797.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(C6H11NC)8Rh2](BF4)2
Formula	C56 H88 B2 Cl2 F8 N8 Rh2
Calculated formula	C56 H88 B2 Cl2 F8 N8 Rh2
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	12.1642 ± 0.0007 Å
b	13.3121 ± 0.0007 Å
c	20.432 ± 0.0011 Å
α	87.576 ± 0.003°
β	82.919 ± 0.003°
γ	74.413 ± 0.003°
Cell volume	3162.4 ± 0.3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0568
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1006
Weighted residual factors for all reflections included in the refinement	0.106
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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.	4339797.cif
117547	2014-06-15	cif/ Adding structures of 4339797 via cif-deposit CGI script.	4339797.cif