Crystallography Open Database

Information card for entry 7233456

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Coordinates	7233456.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Biurea
Formula	C D3 N2 O
Calculated formula	C D3 N2 O
Title of publication	Pressure-induced isosymmetric phase transition in biurea
Authors of publication	Bull, Craig L.; Funnell, Nicholas P.; Ridley, Christopher J.; Pulham, Colin R.; Coster, Paul L.; Tellam, James P.; Marshall, William G.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	39
Pages of publication	5872
a	9.3394 ± 0.0007 Å
b	4.57648 ± 0.0003 Å
c	11.3816 ± 0.0007 Å
α	90°
β	82.16 ± 0.006°
γ	90°
Cell volume	481.92 ± 0.06 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Cell measurement pressure	0.36 kPa
Number of distinct elements	4
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
RFsqd	0.1442
Goodness-of-fit parameter for all reflections	0.96
Method of determination	powder diffraction
Diffraction radiation type	Neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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