Crystallography Open Database

Information card for entry 7026873

Preview

Coordinates	7026873.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H45 Cl2 F6 N2 O2.5 P Rh S2
Calculated formula	C28 H42 Cl2 F6 N2 O2.5 P Rh S2
Title of publication	The complexation of rhodium(III) with acyclic diaminedithioether (DADTE) ligands.
Authors of publication	Akgun, Zeynep; Engelbrecht, Hendrik; Fan, Kuo-Hsien; Barnes, Charles Leslie; Cutler, Cathy Sue; Jurisson, Silvia Sabine; Lever, Susan Zemyan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2010
Journal volume	39
Journal issue	42
Pages of publication	10169 - 10178
a	17.8256 ± 0.0011 Å
b	10.4632 ± 0.0006 Å
c	18.7671 ± 0.0011 Å
α	90°
β	94.315 ± 0.001°
γ	90°
Cell volume	3490.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	9
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	0.045
Residual factor for significantly intense reflections	0.0322
Weighted residual factors for significantly intense reflections	0.0807
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7026873.cif
93625	2014-01-13	cif/ Adding structures of 7026873, 7026874 via cif-deposit CGI script.	7026873.cif