Crystallography Open Database

Information card for entry 7224484

Preview

Coordinates	7224484.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H20 Br Cu N2 O4
Calculated formula	C26 H20 Br Cu N2 O4
Title of publication	The structural diversity and properties of nine new viologen based zwitterionic metal‒organic frameworks
Authors of publication	Aulakh, Darpandeep; Nicoletta, Anthony P.; Varghese, Juby R.; Wriedt, Mario
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	12
Pages of publication	2189
a	13.257 ± 0.0005 Å
b	13.257 ± 0.0005 Å
c	31.1199 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	5469.3 ± 0.4 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	6
Space group number	122
Hermann-Mauguin space group symbol	I -4 2 d
Hall space group symbol	I -4 2bw
Residual factor for all reflections	0.0969
Residual factor for significantly intense reflections	0.0652
Weighted residual factors for significantly intense reflections	0.192
Weighted residual factors for all reflections included in the refinement	0.2188
Goodness-of-fit parameter for all reflections included in the refinement	1.038
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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