Crystallography Open Database

Information card for entry 2300266

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Original paper (by DOI)	HTML

Structure parameters

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 hemiammoniate (CD~3~OD·0.5ND~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	2010
Journal volume	43
Journal issue	2
Pages of publication	328 - 336
a	11.0386 ± 0.0004 Å
b	7.65471 ± 0.00034 Å
c	7.58467 ± 0.00033 Å
α	90°
β	90°
γ	90°
Cell volume	640.88 ± 0.05 Å³
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

Version history

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