Crystallography Open Database

Information card for entry 1563381

Preview

Coordinates	1563381.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H24 In2 Mg N6 S4
Calculated formula	C6 H24 In2 Mg N6 S4
Title of publication	Zero- and one-dimensional thioindates synthesized under solvothermal conditions yielding α-In2S3, β-In2S3 or MgIn2S4 as thermal decomposition products
Authors of publication	Quiroga-González, E.; Kienle, L.; Näther, C.; Chakravadhanula, V.S.K.; Lühmann, H.; Bensch, W.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	12
Pages of publication	2805 - 2812
a	9.7196 ± 0.0007 Å
b	15.1887 ± 0.001 Å
c	13.1473 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1940.9 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0285
Weighted residual factors for significantly intense reflections	0.0785
Weighted residual factors for all reflections included in the refinement	0.0806
Goodness-of-fit parameter for all reflections included in the refinement	1.129
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
266424 (current)	2021-06-14	cif/ Adding structures of 1563380, 1563381 via cif-deposit CGI script.	1563381.cif