Crystallography Open Database

Information card for entry 7232361

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Coordinates	7232361.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Mg2 O8
Calculated formula	C8 H6 Mg2 O8
Title of publication	A single crystal study of CPO-27 and UTSA-74 for nitric oxide storage and release
Authors of publication	Henkelis, Susan Elizabeth; Vornholt, Simon Maximilian; Cordes, David Bradford; Slawin, Alexandra; Wheatley, Paul Stewart S.; Morris, Russell
Journal of publication	CrystEngComm
Year of publication	2019
a	25.9434 ± 0.0009 Å
b	25.9434 ± 0.0009 Å
c	6.8189 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	3974.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	4
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.074
Residual factor for significantly intense reflections	0.0624
Weighted residual factors for significantly intense reflections	0.1823
Weighted residual factors for all reflections included in the refinement	0.1893
Goodness-of-fit parameter for all reflections included in the refinement	1.134
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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