Crystallography Open Database

Information card for entry 7000599

Preview

Coordinates	7000599.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tribromo(dimethylselenide-Se)indium(III)
Formula	C2 H6 Br3 In Se
Calculated formula	C2 H6 Br3 In Se
SMILES	Br[In](Br)(Br)[Se](C)C
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	13.449 ± 0.005 Å
b	10.233 ± 0.003 Å
c	6.787 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	934.1 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0484
Residual factor for significantly intense reflections	0.0352
Weighted residual factors for significantly intense reflections	0.0703
Weighted residual factors for all reflections included in the refinement	0.0752
Goodness-of-fit parameter for all reflections included in the refinement	1.072
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.	7000599.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000599.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000599.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000599.cif