Crystallography Open Database

Information card for entry 7118867

Preview

Coordinates	7118867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H36 Bi Br13 N4
Calculated formula	C28 H36 Bi Br13 N4
SMILES	[n+]1(ccccc1)CCCC[n+]1ccccc1.[n+]1(ccccc1)CCCC[n+]1ccccc1.[Bi](Br)(Br)(Br)([Br][Br]Br)(Br)[Br-].BrBr.Br[Br-]Br
Title of publication	Bi(iii) polybromides: a new chapter in coordination chemistry of bismuth.
Authors of publication	Adonin, Sergey A.; Gorokh, Igor D.; Samsonenko, Denis G.; Sokolov, Maxim N.; Fedin, Vladimir P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2016
Journal volume	52
Journal issue	28
Pages of publication	5061 - 5063
a	16.0606 ± 0.0004 Å
b	13.9864 ± 0.0003 Å
c	19.4745 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	4374.56 ± 0.17 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0346
Residual factor for significantly intense reflections	0.0227
Weighted residual factors for significantly intense reflections	0.0339
Weighted residual factors for all reflections included in the refinement	0.0362
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
181567 (current)	2016-04-05	cif/ Updating files of 7118864, 7118865, 7118866, 7118867 Original log message: Adding full bibliography for 7118864--7118867.cif.	7118867.cif
178127	2016-03-11	cif/ Adding structures of 7118864, 7118865, 7118866, 7118867 via cif-deposit CGI script.	7118867.cif