Crystallography Open Database

Information card for entry 7015509

Preview

Coordinates	7015509.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H13 Br2 In N4 Se
Calculated formula	C10 H13 Br2 In N4 Se
SMILES	[In]12([Se]C(=N[N]2=C(C)c2[n]1cccc2)N(C)C)(Br)Br
Title of publication	Indium(III), antimony(III) and bismuth(III) dihalide complexes with tridentate, anionic thio- and selenosemicarbazonato ligands.
Authors of publication	Molter, Anja; Mohr, Fabian
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2011
Journal volume	40
Journal issue	14
Pages of publication	3754 - 3758
a	8.8744 ± 0.0005 Å
b	9.0004 ± 0.0005 Å
c	10.5203 ± 0.0006 Å
α	67.763 ± 0.005°
β	84.663 ± 0.004°
γ	77.02 ± 0.005°
Cell volume	757.89 ± 0.08 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 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	0.0646
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.1135
Weighted residual factors for all reflections included in the refinement	0.1483
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
179859 (current)	2016-03-25	cif/7/01/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/01/55.	7015509.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015509.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015509.cif
21178	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015509, 7015510, 7015511, 7015512 via cif-deposit CGI script.	7015509.cif