Crystallography Open Database

Information card for entry 7015510

Preview

Coordinates	7015510.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C11 H17 Br2 In N4 O S
Calculated formula	C11 H17 Br2 In N4 O S
SMILES	[In]12([N](N=C(S1)N(C)C)=C(c1[n]2cccc1)C)(Br)(Br)[OH]C
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	7.184 ± 0.0004 Å
b	10.0281 ± 0.0006 Å
c	12.6768 ± 0.0007 Å
α	81.442 ± 0.005°
β	74.886 ± 0.005°
γ	71.157 ± 0.005°
Cell volume	832.33 ± 0.09 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0423
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.0987
Goodness-of-fit parameter for all reflections included in the refinement	1.066
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.	7015510.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7015510.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7015510.cif
21178	2011-06-21	../uploads/cif-deposit/cod/cif Adding structures of 7015509, 7015510, 7015511, 7015512 via cif-deposit CGI script.	7015510.cif