Crystallography Open Database

Information card for entry 1564154

Preview

Coordinates	1564154.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Bi2 Cl10 N4 O2
Calculated formula	C12 H24 Bi2 Cl10 N4 O2
SMILES	c1c([NH3+])cccc1[NH3+].[Cl-][Bi](Cl)([Cl-])(Cl)Cl.O
Title of publication	Incorporation of nitrate ions into halobismuthates
Authors of publication	Pandey, Souvik; Pradeep, Prajisha; Venugopal M, Anjali; Aswanth, A.A.; Andrews, Alex P.; Venugopal, Ajay
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	511
Pages of publication	119754
a	7.4256 ± 0.0001 Å
b	10.471 ± 0.0002 Å
c	10.6081 ± 0.0002 Å
α	107.92 ± 0.001°
β	103.47 ± 0.001°
γ	103.663 ± 0.001°
Cell volume	719.73 ± 0.02 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0147
Residual factor for significantly intense reflections	0.0136
Weighted residual factors for significantly intense reflections	0.0331
Weighted residual factors for all reflections included in the refinement	0.0335
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
267548 (current)	2021-07-15	cif/ Adding structures of 1564154, 1564155, 1564156, 1564157 via cif-deposit CGI script.	1564154.cif