Crystallography Open Database

Information card for entry 7013214

Preview

Coordinates	7013214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H21 Bi F15 N3 S3
Calculated formula	C36 H21 Bi F15 N3 S3
SMILES	[Bi](Sc1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)(Sc1c(F)c(F)c(F)c(F)c1F)([n]1ccc(cc1)C)([n]1ccc(cc1)C)[n]1ccc(cc1)C
Title of publication	Coordination complexes of the bismuth(iii) thiolates Bi(SC6F5)3 and Bi(SC6Cl5)3 with pyridine ligands
Authors of publication	Anderson, Kirsty M.; Baylies, Christian J.; Monowar Jahan, A. H. M.; Norman, Nicholas C.; Orpen, A. Guy; Starbuck, Jonathan
Journal of publication	Dalton Transactions
Year of publication	2003
Journal issue	16
Pages of publication	3270
a	9.3018 ± 0.0012 Å
b	17.925 ± 0.002 Å
c	23.774 ± 0.003 Å
α	90°
β	98.982 ± 0.002°
γ	90°
Cell volume	3915.3 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0498
Residual factor for significantly intense reflections	0.028
Weighted residual factors for significantly intense reflections	0.0476
Weighted residual factors for all reflections included in the refinement	0.0518
Goodness-of-fit parameter for all reflections included in the refinement	0.94
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
179836 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/32.	7013214.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7013214.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7013214.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.	7013214.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7013214.cif