Crystallography Open Database

Information card for entry 7204794

7204793 << 7204794 >> 7204795

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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.c1cccc(c2nc(c3ccccn3)nc(c3ncccc3)n2)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	9.034 ± 0.004 Å
b	11.372 ± 0.007 Å
c	17.894 ± 0.006 Å
α	75.17 ± 0.03°
β	84.39 ± 0.03°
γ	86.23 ± 0.04°
Cell volume	1767 ± 1.5 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	0.0649
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0742
Goodness-of-fit parameter for all reflections included in the refinement	0.933
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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