Crystallography Open Database

Information card for entry 4512410

Preview

Coordinates	4512410.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	C60 . 2 S8 (gamma, 293 K)
Formula	C60 S16
Calculated formula	C60 S16
Title of publication	New Insights into the Structural Complexity of C60·2S8: Two Crystal Morphologies, Two Phase Changes, Four Polymorphs
Authors of publication	Ghiassi, Kamran B.; Chen, Susanne Y.; Wescott, Joseph; Balch, Alan L.; Olmstead, Marilyn M.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	1
Pages of publication	404
a	16.1733 ± 0.0009 Å
b	15.8931 ± 0.0009 Å
c	18.5781 ± 0.001 Å
α	90°
β	113.302 ± 0.002°
γ	90°
Cell volume	4385.9 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	2
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.086
Residual factor for significantly intense reflections	0.0702
Weighted residual factors for significantly intense reflections	0.1969
Weighted residual factors for all reflections included in the refinement	0.2123
Goodness-of-fit parameter for all reflections included in the refinement	1.043
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
179671 (current)	2016-03-24	cif/4/51/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/51/24.	4512410.cif
130437	2015-02-04	cif/ Updating files of 4512408, 4512409, 4512410, 4512411 Original log message: Adding full bibliography for 4512408--4512411.cif.	4512410.cif
127814	2014-11-22	cif/ Adding structures of 4512408, 4512409, 4512410, 4512411 via cif-deposit CGI script.	4512410.cif