Crystallography Open Database

Information card for entry 7038118

Preview

Coordinates	7038118.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H8 Bi Br4 N
Calculated formula	C6 H8 Bi Br4 N
Title of publication	Trapping molecular bromine: a one-dimensional bromobismuthate complex with Br2 as a linker.
Authors of publication	Adonin, S. A.; Gorokh, I. D.; Abramov, P. A.; Plyusnin, P. E.; Sokolov, M. N.; Fedin, V. P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2016
Journal volume	45
Journal issue	9
Pages of publication	3691 - 3693
a	7.47341 ± 0.00015 Å
b	13.3443 ± 0.0002 Å
c	12.4703 ± 0.0002 Å
α	90°
β	91.9932 ± 0.0016°
γ	90°
Cell volume	1242.88 ± 0.04 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 0.1 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0289
Residual factor for significantly intense reflections	0.0219
Weighted residual factors for significantly intense reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.044
Goodness-of-fit parameter for all reflections included in the refinement	1.105
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
177853 (current)	2016-03-05	cif/ Updating files of 7038118, 7038119 Original log message: Adding full bibliography for 7038118--7038119.cif.	7038118.cif
175053	2016-01-26	cif/ Adding structures of 7038118, 7038119 via cif-deposit CGI script.	7038118.cif