Crystallography Open Database

Information card for entry 7049905

Preview

Coordinates	7049905.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H44 Bi2 Br12 N6 O
Calculated formula	C24 H44 Bi2 Br12 N6 O
Title of publication	Unexpected hydrolytic transformation of new type hybrid bromobismuthates with methylpyrazinium dications.
Authors of publication	Kotov, Vitalii Yu; Ilyukhin, Andrey B.; Buikin, Petr A.; Simonenko, Nikolay P.; Korlyukov, Alexander A.; Smol'yakov, Alexander F.; Yorov, Khursand E.; Gavrikov, Andrey V.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2019
Journal volume	48
Journal issue	22
Pages of publication	7602 - 7611
a	11.0371 ± 0.0006 Å
b	13.422 ± 0.0007 Å
c	15.1336 ± 0.0008 Å
α	90°
β	90.014 ± 0.002°
γ	90°
Cell volume	2241.9 ± 0.2 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	7
Hermann-Mauguin space group symbol	P 1 c 1
Hall space group symbol	P -2yc
Residual factor for all reflections	0.0646
Residual factor for significantly intense reflections	0.0472
Weighted residual factors for significantly intense reflections	0.1023
Weighted residual factors for all reflections included in the refinement	0.1113
Goodness-of-fit parameter for all reflections included in the refinement	0.993
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
223828 (current)	2019-11-07	cif/ Updating files of 7049900, 7049901, 7049902, 7049903, 7049904, 7049905, 7049906, 7049907, 7049908 Original log message: Adding full bibliography for 7049900--7049908.cif.	7049905.cif
214871	2019-05-01	cif/ Adding structures of 7049900, 7049901, 7049902, 7049903, 7049904, 7049905, 7049906, 7049907, 7049908 via cif-deposit CGI script.	7049905.cif