Crystallography Open Database

Information card for entry 4324465

Preview

Coordinates	4324465.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H82 Cl2 Co Fe N14 O22 Rh S2
Calculated formula	C29 H54 Cl2 Co Fe N14 O22 Rh S2
Title of publication	Discrete RhIII/FeII and RhIII/FeII/CoIII Cyanide-Bridged Mixed Valence Compounds
Authors of publication	Paul V. Bernhardt; Manuel Martínez; Carlos Rodríguez; Marta Vazquez
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	1429 - 1440
a	34.2541 ± 0.0015 Å
b	9.8188 ± 0.0007 Å
c	16.7885 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5646.5 ± 0.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	9
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.1089
Residual factor for significantly intense reflections	0.0633
Weighted residual factors for significantly intense reflections	0.1618
Weighted residual factors for all reflections included in the refinement	0.1796
Goodness-of-fit parameter for all reflections included in the refinement	0.894
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179347 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/44.	4324465.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4324465.cif
41173	2012-03-12	../uploads/cif-deposit/cod/cif Adding structures of 4324465 via cif-deposit CGI script.	4324465.cif