Crystallography Open Database

Information card for entry 2300261

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Original paper (by DOI)	HTML

Structure parameters

Common name	methanol mono-ammoniate
Chemical name	methanol mono-ammoniate
Formula	C D7 N O
Calculated formula	C D7 N O
SMILES	C(O[2H])([2H])([2H])[2H].N([2H])([2H])[2H]
Title of publication	The crystal structure of perdeuterated methanol monoammoniate (CD~3~OD·ND~3~) determined from neutron powder diffraction data at 4.2 and 180K
Authors of publication	Fortes, A. D.; Wood, I. G.; Knight, K. S.
Journal of publication	Journal of Applied Crystallography
Year of publication	2009
Journal volume	42
Journal issue	6
Pages of publication	1054 - 1061
a	11.21169 ± 0.00005 Å
b	7.74663 ± 0.00004 Å
c	7.68077 ± 0.00005 Å
α	90°
β	90°
γ	90°
Cell volume	667.096 ± 0.006 Å³
Cell temperature	180 K
Number of distinct elements	4
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Method of determination	powder diffraction
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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