Crystallography Open Database

Information card for entry 7051802

Preview

Coordinates	7051802.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H42 Cd2 Cl4 N10 O20 S4
Calculated formula	C46 H34 Cd2 Cl4 N10 O18 S4
Title of publication	Synthesis and X-ray structures of cadmium-containing dinuclear double helicates derived from ligands containing N-oxide units
Authors of publication	Bokolinis, Georgios; Riis-Johannessen, T.; Jeffery, John C.; Rice, Craig R.
Journal of publication	New Journal of Chemistry
Year of publication	2008
Journal volume	32
Journal issue	1
Pages of publication	115
a	23.568 ± 0.004 Å
b	12.894 ± 0.002 Å
c	21.345 ± 0.004 Å
α	90°
β	110.065 ± 0.004°
γ	90°
Cell volume	6092.7 ± 1.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
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	0.0853
Residual factor for significantly intense reflections	0.0548
Weighted residual factors for significantly intense reflections	0.1615
Weighted residual factors for all reflections included in the refinement	0.1737
Goodness-of-fit parameter for all reflections included in the refinement	0.992
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
180072 (current)	2016-03-26	cif/7/05/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/05/18.	7051802.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7051802.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7051802.cif
1173	2010-05-16	cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing.	7051802.cif