Crystallography Open Database

Information card for entry 7118864

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Coordinates	7118864.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H30 Bi2 Br13 N3
Calculated formula	C21 H30 Bi2 Br13 N3
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	11.91371 ± 0.00017 Å
b	15.9042 ± 0.0002 Å
c	21.6218 ± 0.0004 Å
α	90°
β	91.0689 ± 0.0014°
γ	90°
Cell volume	4096.14 ± 0.11 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
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	0.0577
Residual factor for significantly intense reflections	0.0494
Weighted residual factors for significantly intense reflections	0.1707
Weighted residual factors for all reflections included in the refinement	0.1822
Goodness-of-fit parameter for all reflections included in the refinement	1.064
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

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