Crystallography Open Database

Information card for entry 4335259

Preview

Coordinates	4335259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C9 H19 Bi Cl2 F3 N O3 P2 S
Calculated formula	C9 H19 Bi Cl2 F3 N O3 P2 S
SMILES	[Bi]1([P](C)(C)CC[P]1(C)C)(Cl)Cl.S(=O)(=O)([O-])C(F)(F)F.CC#N
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	21.285 ± 0.0016 Å
b	15.2439 ± 0.0016 Å
c	12.3056 ± 0.001 Å
α	90°
β	95.629 ± 0.002°
γ	90°
Cell volume	3973.5 ± 0.6 Å³
Cell temperature	198 ± 1 K
Ambient diffraction temperature	198 ± 1 K
Number of distinct elements	9
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0274
Residual factor for significantly intense reflections	0.0229
Weighted residual factors for significantly intense reflections	0.0557
Weighted residual factors for all reflections included in the refinement	0.0583
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation probe	x-ray
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
209508 (current)	2018-08-09	cif/4/33/52/ Updating bibliography in entries 4335255, 4335256, 4335257, 4335258, 4335259.	4335259.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.	4335259.cif
101168	2014-02-10	cif/ Adding structures of 4335259 via cif-deposit CGI script.	4335259.cif