Crystallography Open Database

Information card for entry 1512932

Preview

Coordinates	1512932.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H20 Br3 N4 Nd
Calculated formula	C20 H20 Br3 N4 Nd
SMILES	[Nd](Br)(Br)(Br)([n]1ccccc1)([n]1ccccc1)([n]1ccccc1)[n]1ccccc1
Title of publication	Structural characterization of methanol substituted lanthanum halides
Authors of publication	Timothy J. Boyle; Leigh Anna M. Ottley; Todd M. Alam; Mark A. Rodriguez; Pin Yang; Sarah K. Mcintyre
Journal of publication	Polyhedron
Year of publication	2010
Journal volume	29
Journal issue	7
Pages of publication	1784 - 1795
a	16.998 ± 0.002 Å
b	17.515 ± 0.002 Å
c	32.617 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	9711 ± 2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0866
Residual factor for significantly intense reflections	0.0386
Weighted residual factors for significantly intense reflections	0.0619
Weighted residual factors for all reflections included in the refinement	0.0796
Goodness-of-fit parameter for all reflections included in the refinement	1.005
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
176435 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2.	1512932.cif
91068	2013-12-06	cif/ Adding structures of 1512924, 1512925, 1512926, 1512927, 1512928, 1512929, 1512930, 1512931, 1512932 via cif-deposit CGI script.	1512932.cif