Crystallography Open Database

Information card for entry 7032944

Preview

Coordinates	7032944.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H22 Bi Cl2 N3
Calculated formula	C14 H22 Bi Cl2 N3
SMILES	[Bi]12(Cl)(Cl)n3c(C[N]41CCCC4)ccc3C[N]12CCCC1
Title of publication	Antimony(III) and bismuth(III) amides containing pendant N-donor groups‒a combined experimental and theoretical study.
Authors of publication	Vránová, Iva; Jambor, Roman; Růžička, Aleš; Hoffmann, Alexander; Herres-Pawlis, Sonja; Dostál, Libor
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	1
Pages of publication	395 - 400
a	8.702 ± 0.0005 Å
b	20.6791 ± 0.0014 Å
c	12.148 ± 0.0007 Å
α	90°
β	132.669 ± 0.005°
γ	90°
Cell volume	1607.3 ± 0.2 Å³
Cell temperature	150 ± 1 K
Ambient diffraction temperature	150 ± 1 K
Number of distinct elements	5
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	0.0474
Residual factor for significantly intense reflections	0.0419
Weighted residual factors for significantly intense reflections	0.0964
Weighted residual factors for all reflections included in the refinement	0.0995
Goodness-of-fit parameter for all reflections included in the refinement	1.216
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
180035 (current)	2016-03-25	cif/7/03/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/03/29.	7032944.cif
131058	2015-02-04	cif/ Updating files of 7032942, 7032943, 7032944, 7032945 Original log message: Adding full bibliography for 7032942--7032945.cif.	7032944.cif
125980	2014-10-30	cif/ Adding structures of 7032942, 7032943, 7032944, 7032945 via cif-deposit CGI script.	7032944.cif