Crystallography Open Database

Information card for entry 1564157

Preview

Coordinates	1564157.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Bi2 Br8 N6 O8
Calculated formula	C12 H24 Bi2 Br8 N6 O8
SMILES	c1c(cccc1[NH3+])[NH3+].[Bi]12(ON(=O)=[O]2)(Br)(Br)([Br][Bi]2(ON(=O)=[O]2)(Br)(Br)(Br)[Br]1)Br.O.c1c(cccc1[NH3+])[NH3+].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	7.6329 ± 0.0004 Å
b	10.6904 ± 0.0006 Å
c	10.9544 ± 0.0006 Å
α	104.146 ± 0.002°
β	106.595 ± 0.002°
γ	98.541 ± 0.002°
Cell volume	807.41 ± 0.08 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	0.0207
Residual factor for significantly intense reflections	0.0165
Weighted residual factors for significantly intense reflections	0.0355
Weighted residual factors for all reflections included in the refinement	0.0368
Goodness-of-fit parameter for all reflections included in the refinement	1.032
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.	1564157.cif