Crystallography Open Database

Information card for entry 2312644

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Coordinates	2312644.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	thiophosgene
Chemical name	carbonothioyl dichloride
Formula	C Cl2 S
Calculated formula	C Cl2.00001 S0.99999
Title of publication	A comprehensive characterization of thiophosgene in the solid state.
Authors of publication	Tambornino, Frank; Ringelband, Sven; Parker, Stewart F.; Howard, Christopher M.; Fortes, Dominic
Journal of publication	Acta crystallographica Section B, Structural science, crystal engineering and materials
Year of publication	2024
Journal volume	80
Journal issue	5
a	5.994491 ± 0.000024 Å
b	5.994491 Å
c	6.46654 ± 0.00004 Å
α	90°
β	90°
γ	120°
Cell volume	201.237 ± 0.0015 Å³
Cell temperature	190 K
Ambient diffraction temperature	190 K
Number of distinct elements	3
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
RFsqd	0.23554
Goodness-of-fit parameter for all reflections	0.99
Method of determination	powder diffraction
Diffraction radiation probe	neutron
Diffraction radiation type	white-beam
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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