Test Crystallography Open Database

Information card for entry 7200053

7200052 << 7200053 >> 7200054

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Coordinates	7200053.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 D8 I2 O2
Calculated formula	C4 D8 I2 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	10.13247 ± 0.00013 Å
b	9.24664 ± 0.00011 Å
c	4.32334 ± 0.00005 Å
α	90°
β	90.1537 ± 0.0007°
γ	90°
Cell volume	405.058 ± 0.008 Å³
Cell temperature	59 K
Ambient diffraction temperature	59 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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