Crystallography Open Database

Information card for entry 1519224

1519223 << 1519224 >> 1519225

Preview

Coordinates	1519224.cif

Structure parameters

Formula	C46 H37 Bi O6
Calculated formula	C46 H37 Bi O6
SMILES	[Bi](OC(=O)C(O)(c1ccccc1)c1ccccc1)(OC(=O)C(O)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	bis(2-Hydroxy-2,2-diphenylacetato)-triphenyl-bismuth
Authors of publication	Hursthouse, Michael B.; Gelbrich, Thomas; Costello, J. F.; Coles, Simon J.; Barucki, H.
Journal of publication	Crystal Structure Report Archive
Year of publication	1999
Pages of publication	95
a	10.102 ± 0.002 Å
b	20.609 ± 0.004 Å
c	18.706 ± 0.004 Å
α	90°
β	103.59 ± 0.03°
γ	90°
Cell volume	3785.4 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0319
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0794
Weighted residual factors for all reflections included in the refinement	0.0878
Goodness-of-fit parameter for all reflections included in the refinement	0.751
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519224.cif
135542	2015-05-05	cif/ Adding structures of 1519224 via cif-deposit CGI script.	1519224.cif