Crystallography Open Database

Information card for entry 2300268

Preview

No preview available: file is not found.

Coordinates	Coordinates are not available: file is not found.
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	11.20962 ± 0.00025 Å
b	7.74564 ± 0.00024 Å
c	7.6781 ± 0.00022 Å
α	90°
β	90°
γ	90°
Cell volume	666.66 ± 0.03 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

Version history is temporarily not available due to server issues.