Crystallography Open Database

Information card for entry 7111656

Preview

Coordinates	7111656.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H40 As2 Bi2 F12 O12 S4
Calculated formula	C52 H40 As2 Bi2 F12 O12 S4
SMILES	[Bi]1([As](c2ccccc2)(c2ccccc2)c2ccccc2)(OS(=[O][Bi]([As](c2ccccc2)(c2ccccc2)c2ccccc2)(OS(=[O]1)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)c1ccccc1)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)c1ccccc1
Title of publication	Bismuthenium-pnictonium dications [R′BiPnR3]2+ (Pn = As, Sb) containing carbenoid bismuth centers and rare Bi‒Sb bonds
Authors of publication	Conrad, Eamonn; Burford, Neil; McDonald, Robert; Ferguson, Michael J.
Journal of publication	Chemical Communications
Year of publication	2010
Journal volume	46
Journal issue	25
Pages of publication	4598 - 4600
a	10.9929 ± 0.0006 Å
b	14.9895 ± 0.0009 Å
c	18.7965 ± 0.0011 Å
α	77.24 ± 0.001°
β	81.085 ± 0.001°
γ	88.203 ± 0.001°
Cell volume	2984.3 ± 0.3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0255
Residual factor for significantly intense reflections	0.0231
Weighted residual factors for significantly intense reflections	0.0577
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
180230 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/16.	7111656.cif
96718	2014-01-29	cif/ Adding structures of 7111654, 7111655, 7111656, 7111657 via cif-deposit CGI script.	7111656.cif