Crystallography Open Database

Information card for entry 7009161

Preview

Coordinates	7009161.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C24 H64 In4 N4 S10
Calculated formula	C12 H30 In4 N2 S10
SMILES	C(CC)[NH2+]CCC.[NH2+](CCC)CCC.S1[In]2(S[In]3(S[In](S2)(S[In]1([S-])S3)[S-])[S-])[S-]
Title of publication	On the formation of framework indium sulfides
Authors of publication	Cahill, Christopher L.; Parise, J. B.
Journal of publication	Journal of the Chemical Society, Dalton Transactions
Year of publication	2000
Journal issue	9
Pages of publication	1475
a	10.322 ± 0.002 Å
b	30.803 ± 0.006 Å
c	15.861 ± 0.003 Å
α	90°
β	105.75 ± 0.03°
γ	90°
Cell volume	4853.6 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 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	0.1329
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.2581
Weighted residual factors for all reflections included in the refinement	0.2703
Goodness-of-fit parameter for all reflections included in the refinement	1.367
Diffraction radiation wavelength	0.643 Å
Diffraction radiation type	synchrotron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
179795 (current)	2016-03-25	cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/91.	7009161.cif
120443	2014-07-15	Adding 17924 DOIs guessed from source file names.	7009161.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7009161.cif
3896	2010-12-08	cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/.	7009161.cif