Crystallography Open Database

Information card for entry 1519349

1519348 << 1519349 >> 1519350

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Coordinates	1519349.cif
External links	PubChem

Structure parameters

Formula	C21 H18 As2 N4 S4
Calculated formula	C21 H18 As2 N4 S4
SMILES	[As](Sc1ncccc1)(Sc1ncccc1)C[As](Sc1ncccc1)Sc1ncccc1
Title of publication	bis(bis(2-Pyridylthio)arsino)methane
Authors of publication	Davies, J. E.; Hursthouse, Michael B.; Coles, Simon J.; Joy, J. S.; Paver, M. A.
Journal of publication	Crystal Structure Report Archive
Year of publication	2001
Pages of publication	82
a	9.725 ± 0.003 Å
b	14.576 ± 0.004 Å
c	8.545 ± 0.004 Å
α	93.58 ± 0.03°
β	90.85 ± 0.04°
γ	103.34 ± 0.02°
Cell volume	1175.8 ± 0.7 Å³
Cell temperature	180 ± 2 K
Ambient diffraction temperature	180 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0752
Residual factor for significantly intense reflections	0.0458
Weighted residual factors for significantly intense reflections	0.0918
Weighted residual factors for all reflections included in the refinement	0.1027
Goodness-of-fit parameter for all reflections included in the refinement	1.016
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301776 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/51 Each referenced PubChem compound corresponds to the full crystal structure.	1519349.cif
176729	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1519349.cif
135700	2015-05-07	cif/ Adding structures of 1519349 via cif-deposit CGI script.	1519349.cif