Crystallography Open Database

Information card for entry 4339798

Preview

Coordinates	4339798.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[(C6H11NC)12Rh3Cl2][(C6H11NC)8Rh2]][(C6H11NC)4Rh](Cl6).16H2O.3benzene
Formula	C186 H314 Cl6 N24 O16 Rh6
Calculated formula	C186 H282 Cl6 N24 O16 Rh6
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	21.101 ± 0.004 Å
b	20.105 ± 0.003 Å
c	23.857 ± 0.004 Å
α	90°
β	91.086 ± 0.004°
γ	90°
Cell volume	10119 ± 3 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.207
Residual factor for significantly intense reflections	0.1227
Weighted residual factors for significantly intense reflections	0.2888
Weighted residual factors for all reflections included in the refinement	0.3487
Goodness-of-fit parameter for all reflections included in the refinement	1.033
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.	4339798.cif
117548	2014-06-15	cif/ Adding structures of 4339798 via cif-deposit CGI script.	4339798.cif