Crystallography Open Database

Information card for entry 4070745

Preview

Coordinates	4070745.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	07131
Formula	C36 H45 B3 Bi F3 O6
Calculated formula	C36 H45 B3 Bi F3 O6
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	11.6453 ± 0.0009 Å
b	13.4108 ± 0.001 Å
c	24.5109 ± 0.0018 Å
α	90°
β	94.063 ± 0.001°
γ	90°
Cell volume	3818.3 ± 0.5 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0245
Weighted residual factors for significantly intense reflections	0.0589
Weighted residual factors for all reflections included in the refinement	0.0645
Goodness-of-fit parameter for all reflections included in the refinement	1.009
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4070745.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4070745.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4070745.cif
42672	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4070744, 4070745, 4070746, 4070747, 4070748 via cif-deposit CGI script.	4070745.cif