Crystallography Open Database

Information card for entry 7009274

Preview

Coordinates	7009274.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C192 H162 B8 Co4 F32 N42
Calculated formula	C197 H144 B7.98 Co4 F31.92 N38.5
Title of publication	Effects of metal co-ordination geometry on self-assembly: a dinuclear double helicate complex and a tetranuclear cage complex of a new bis-bidentate bridging ligand
Authors of publication	Paul, Rowena L.; Couchman, Samantha M.; Jeffery, John C.; McCleverty, Jon A.; Reeves, Zoe R.; Ward, Michael D.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	6
Pages of publication	845
a	19.221 ± 0.008 Å
b	37.421 ± 0.018 Å
c	31.929 ± 0.009 Å
α	90°
β	90.71 ± 0.02°
γ	90°
Cell volume	22964 ± 16 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.2633
Residual factor for significantly intense reflections	0.1576
Weighted residual factors for significantly intense reflections	0.4077
Weighted residual factors for all reflections included in the refinement	0.4853
Goodness-of-fit parameter for all reflections included in the refinement	1.589
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
179796 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/92.	7009274.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009274.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009274.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009274.cif