Crystallography Open Database

Information card for entry 7000597

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Coordinates	7000597.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-dibromobis(2,7-dimethyl-3,6-dithiaoctane-S,S')indium(III) tetrabromoindate
Formula	C16 H36 Br6 In2 S4
Calculated formula	C16 H36 Br6 In2 S4
SMILES	[In]12(Br)(Br)([S](C(C)C)CC[S]1C(C)C)[S](C(C)C)CC[S]2C(C)C.[In](Br)(Br)([Br-])Br
Title of publication	Synthesis, characterisation and structures of thio-, seleno- and telluro-ether complexes of indium(III) halides
Authors of publication	Gurnani, Chitra; Jura, Marek; Levason, William; Ratnani, Raju; Reid, Gillian; Webster, Michael
Journal of publication	Dalton Transactions
Year of publication	2009
Journal issue	9
Pages of publication	1611 - 1619
a	11.4407 ± 0.001 Å
b	12.9075 ± 0.0012 Å
c	21.6066 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	3190.7 ± 0.4 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0281
Weighted residual factors for significantly intense reflections	0.0465
Weighted residual factors for all reflections included in the refinement	0.0477
Goodness-of-fit parameter for all reflections included in the refinement	1.052
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
179683 (current)	2016-03-24	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/05.	7000597.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000597.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000597.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000597.cif