Crystallography Open Database

Information card for entry 4070746

Preview

Coordinates	4070746.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	07206
Formula	C24 H25 B Bi Cl2 F O2
Calculated formula	C24 H25 B Bi Cl2 F O2
SMILES	[Bi](Cl)(Cl)(c1c(B2OC(C)(C)C(O2)(C)C)c(F)ccc1)(c1ccccc1)c1ccccc1
Title of publication	Synthesis, Structure, and Reactivity of Borate Ester Coordinated Organobismuth Compounds
Authors of publication	Caires, Christopher C.; Guccione, Samira
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	4
Pages of publication	747
a	9.4733 ± 0.0006 Å
b	13.9288 ± 0.0008 Å
c	37.941 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5006.4 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0366
Residual factor for significantly intense reflections	0.0263
Weighted residual factors for significantly intense reflections	0.0526
Weighted residual factors for all reflections included in the refinement	0.0559
Goodness-of-fit parameter for all reflections included in the refinement	1.023
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
178596 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/07.	4070746.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070746.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070746.cif
42672	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070744, 4070745, 4070746, 4070747, 4070748 via cif-deposit CGI script.	4070746.cif