Crystallography Open Database

Information card for entry 7204793

7204792 << 7204793 >> 7204794

Preview

Coordinates	7204793.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H12 Bi F15 N6 S3
Calculated formula	C36 H12 Bi F15 N6 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)c1nc(c2ccncc2)nc(c2ccncc2)n1
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	7.5887 ± 0.0018 Å
b	14.181 ± 0.006 Å
c	17.931 ± 0.005 Å
α	73.275 ± 0.013°
β	78.66 ± 0.02°
γ	75.19 ± 0.02°
Cell volume	1770.8 ± 1 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0894
Residual factor for significantly intense reflections	0.057
Weighted residual factors for significantly intense reflections	0.1313
Weighted residual factors for all reflections included in the refinement	0.1461
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	7204793.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7204793.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7204793.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.	7204793.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/.	7204793.cif