Crystallography Open Database

Information card for entry 7204790

7204789 << 7204790 >> 7204791

Preview

Coordinates	7204790.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H16 Bi F15 N2 O S3
Calculated formula	C32 H16 Bi F15 N2 O S3
SMILES	[Bi](Sc1c(c(c(c(c1F)F)F)F)F)(Sc1c(c(c(c(c1F)F)F)F)F)(Sc1c(c(c(c(c1F)F)F)F)F)([n]1ccc(cc1)c1ccncc1)[O]1CCCC1
Title of publication	Coordination polymers formed by Bi(SC6F5)3 with multidentate polypyridyl ligands
Authors of publication	Charmant, Jonathan P. H.; Jahan, A. H. M. Monowar; Norman, Nicholas C.; Orpen, A. Guy; Podesta, Thomas J.
Journal of publication	CrystEngComm
Year of publication	2004
Journal volume	6
Journal issue	7
Pages of publication	29
a	9.4389 ± 0.0011 Å
b	18.206 ± 0.002 Å
c	19.514 ± 0.002 Å
α	90°
β	94.385 ± 0.002°
γ	90°
Cell volume	3343.6 ± 0.6 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/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0536
Residual factor for significantly intense reflections	0.0293
Weighted residual factors for significantly intense reflections	0.0533
Weighted residual factors for all reflections included in the refinement	0.0584
Goodness-of-fit parameter for all reflections included in the refinement	0.945
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
180378 (current)	2016-03-26	cif/7/20/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/20/47.	7204790.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204790.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204790.cif
5312	2011-01-03	cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version.	7204790.cif
3890	2010-12-07	cif/7/ Adding CIFs with data extracted from New-J-Chem-2004-2000/, Org-Biomol-Chem-2004-2000/ and RSC-2004-2000/.	7204790.cif