Crystallography Open Database

Information card for entry 7038119

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Coordinates	7038119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Bi2 Br11 N3
Calculated formula	C18 H24 Bi2 Br11 N3
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	15.0999 ± 0.0003 Å
b	10.6848 ± 0.0002 Å
c	22.747 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3669.99 ± 0.13 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 0.1 K
Number of distinct elements	5
Space group number	57
Hermann-Mauguin space group symbol	P c a m
Hall space group symbol	-P 2c 2ac
Residual factor for all reflections	0.0639
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.1226
Weighted residual factors for all reflections included in the refinement	0.1315
Goodness-of-fit parameter for all reflections included in the refinement	1.047
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
177853 (current)	2016-03-05	cif/ Updating files of 7038118, 7038119 Original log message: Adding full bibliography for 7038118--7038119.cif.	7038119.cif
175053	2016-01-26	cif/ Adding structures of 7038118, 7038119 via cif-deposit CGI script.	7038119.cif