Crystallography Open Database

Information card for entry 7000595

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Coordinates	7000595.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	trans-dichlorobis(2,7-dimethyl-3,6-dithiaoctane)indium(III) tetrachloroindate(III) dichloromethane solvate
Formula	C16.5 H37 Cl7 In2 S4
Calculated formula	C16.5 H37 Cl7 In2 S4
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	31.324 ± 0.005 Å
b	11.033 ± 0.002 Å
c	20.679 ± 0.003 Å
α	90°
β	118.131 ± 0.007°
γ	90°
Cell volume	6302.4 ± 1.8 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.1049
Residual factor for significantly intense reflections	0.0674
Weighted residual factors for significantly intense reflections	0.1193
Weighted residual factors for all reflections included in the refinement	0.1359
Goodness-of-fit parameter for all reflections included in the refinement	1.14
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7000595.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7000595.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7000595.cif
1143	2010-05-03	cif/7/ Adding CIFs from Dalton-Trans-2009/ deposition.	7000595.cif