Crystallography Open Database

Information card for entry 4335258

Preview

Coordinates	4335258.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H16 Bi Br2 F3 O5 S
Calculated formula	C9 H16 Bi Br2 F3 O5 S
Title of publication	Coordination Complexes of Bismuth Triflates with Tetrahydrofuran and Diphosphine Ligands
Authors of publication	Chitnis, Saurabh S.; Burford, Neil; Decken, Andreas; Ferguson, Michael J.
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Journal issue	12
Pages of publication	7242 - 7248
a	8.088 ± 0.002 Å
b	10.539 ± 0.004 Å
c	11.746 ± 0.003 Å
α	106.091 ± 0.005°
β	97.96 ± 0.004°
γ	106.559 ± 0.003°
Cell volume	896 ± 0.5 Å³
Cell temperature	188 ± 1 K
Ambient diffraction temperature	188 ± 1 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	0.0619
Residual factor for significantly intense reflections	0.0498
Weighted residual factors for significantly intense reflections	0.1222
Weighted residual factors for all reflections included in the refinement	0.1297
Goodness-of-fit parameter for all reflections included in the refinement	1.048
Diffraction radiation probe	x-ray
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
209508 (current)	2018-08-09	cif/4/33/52/ Updating bibliography in entries 4335255, 4335256, 4335257, 4335258, 4335259.	4335258.cif
179455	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/52.	4335258.cif
101167	2014-02-10	cif/ Adding structures of 4335258 via cif-deposit CGI script.	4335258.cif