Crystallography Open Database

Information card for entry 5000151

Preview

Coordinates	5000151.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4.339 N3 O8.669
Calculated formula	C10 H5 N5 O16.6667
Title of publication	Structures of 2,4,6-trinitro-1.3-benzenediol 2/3-hydrate and 2,4,6-trinitro-1,3,5-benzenetriol 2/3-hydrate
Authors of publication	Pierce-Butler, M.
Journal of publication	Acta Crystallographica Section B
Year of publication	1982
Journal volume	38
Journal issue	12
Pages of publication	3097 - 3100
a	12.6077 ± 0.0004 Å
b	12.6077 ± 0.0004 Å
c	10.1147 ± 0.0015 Å
α	90°
β	90°
γ	120°
Cell volume	1392.37 Å³
Number of distinct elements	4
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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