Crystallography Open Database

Information card for entry 7023661

Preview

Coordinates	7023661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H10 Bi Br4 N O
Calculated formula	C4 H10 Bi Br4 N O
Title of publication	Investigation of structure-properties relationship in a novel family of halogenoantimonates(iii) and halogenobismuthates(iii) with morpholinium cation: [NH2(C2H4)2O]MX4. Crystal structure, phase transitions and dynamics of molecules.
Authors of publication	Owczarek, Magdalena; Jakubas, Ryszard; Pietraszko, Adam; Medycki, Wojciech; Baran, Jan
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	42
Pages of publication	15069 - 15079
a	12.666 ± 0.003 Å
b	12.675 ± 0.003 Å
c	8.087 ± 0.0016 Å
α	90°
β	108.33 ± 0.03°
γ	90°
Cell volume	1232.4 ± 0.5 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0593
Residual factor for significantly intense reflections	0.0271
Weighted residual factors for significantly intense reflections	0.0403
Weighted residual factors for all reflections included in the refinement	0.0426
Goodness-of-fit parameter for all reflections included in the refinement	0.819
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
179941 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/36.	7023661.cif
90599	2013-11-18	cif/ Adding structures of 7023659, 7023660, 7023661, 7023662, 7023663 via cif-deposit CGI script.	7023661.cif