Crystallography Open Database

Information card for entry 7013216

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Structure parameters

Formula	C28 H8 Bi F15 N2 S3
Calculated formula	C28 H8 Bi F15 N2 S3
SMILES	[Bi]1([n]2ccccc2c2[n]1cccc2)(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
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	9.6388 ± 0.0015 Å
b	12.2386 ± 0.0015 Å
c	13.241 ± 0.002 Å
α	90°
β	111.083 ± 0.013°
γ	90°
Cell volume	1457.4 ± 0.4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.054
Residual factor for significantly intense reflections	0.0354
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0604
Goodness-of-fit parameter for all reflections included in the refinement	0.824
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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