Test Crystallography Open Database

Information card for entry 7200064

7200063 << 7200064 >> 7200065

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Coordinates	7200064.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 Br2 D8 O2
Calculated formula	C4 Br2 D8 O2
Title of publication	The thermal expansion properties of halogen bond containing 1,4 dioxane halogen complexes
Authors of publication	Marshall, W. G.; Jones, R. H.; Knight, K. S.
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	35
Pages of publication	5269 - 5277
a	9.60183 ± 0.00009 Å
b	8.97363 ± 0.00008 Å
c	4.17252 ± 0.00004 Å
α	90°
β	90.8583 ± 0.0005°
γ	90°
Cell volume	359.478 ± 0.006 Å³
Cell temperature	126 K
Ambient diffraction temperature	126 K
Number of distinct elements	4
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Method of determination	powder diffraction
Diffraction radiation type	neutron
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

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