Crystallography Open Database

Information card for entry 7045344

Preview

Coordinates	7045344.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H16 Bi Br7 N2
Calculated formula	C13 H16 Bi Br7 N2
Title of publication	Bromine-rich complexes of bismuth: experimental and theoretical studies.
Authors of publication	Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Plyusnin, Pavel E.; Sokolov, Maxim N.; Fedin, Vladimir P.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	8
Pages of publication	2683 - 2689
a	8.3504 ± 0.0003 Å
b	14.0462 ± 0.0008 Å
c	19.2571 ± 0.0006 Å
α	90°
β	90°
γ	90°
Cell volume	2258.69 ± 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	0.0369
Residual factor for significantly intense reflections	0.0264
Weighted residual factors for significantly intense reflections	0.0488
Weighted residual factors for all reflections included in the refinement	0.0517
Goodness-of-fit parameter for all reflections included in the refinement	1.087
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
229395 (current)	2019-11-17	cif/ Updating files of 7045343, 7045344, 7045345 Original log message: Adding full bibliography for 7045343--7045345.cif.	7045344.cif
205482	2018-01-23	cif/ Adding structures of 7045343, 7045344, 7045345 via cif-deposit CGI script.	7045344.cif