Crystallography Open Database

Information card for entry 7231709

Preview

Coordinates	7231709.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Bi2 Br4 Cl10 N4
Calculated formula	C20 H20 Bi2 Br4 Cl10 N4
Title of publication	Halobismuthates with halopyridinium cations: appearance or non-appearance of unusual colouring
Authors of publication	Adonin, Sergey A.; Gorokh, Igor D.; Novikov, Alexander S.; Samsonenko, Denis G.; Yushina, Irina V.; Sokolov, Maxim N.; Fedin, Vladimir P.
Journal of publication	CrystEngComm
Year of publication	2018
Journal volume	20
Journal issue	48
Pages of publication	7766
a	8.8204 ± 0.0004 Å
b	10.4344 ± 0.0004 Å
c	10.4924 ± 0.0004 Å
α	99.47 ± 0.003°
β	97.092 ± 0.004°
γ	108.757 ± 0.004°
Cell volume	885.7 ± 0.07 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0445
Residual factor for significantly intense reflections	0.0363
Weighted residual factors for significantly intense reflections	0.0627
Weighted residual factors for all reflections included in the refinement	0.068
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
229047 (current)	2019-11-17	cif/ Updating files of 7231701, 7231702, 7231703, 7231704, 7231705, 7231706, 7231707, 7231708, 7231709 Original log message: Adding full bibliography for 7231701--7231709.cif.	7231709.cif
211673	2018-10-27	cif/ Adding structures of 7231701, 7231702, 7231703, 7231704, 7231705, 7231706, 7231707, 7231708, 7231709 via cif-deposit CGI script.	7231709.cif