Crystallography Open Database

Information card for entry 7224488

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Coordinates	7224488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H52 Cd N3 O19
Calculated formula	C47 H52 Cd N3 O19
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	12.1281 ± 0.0002 Å
b	16.5109 ± 0.0003 Å
c	23.7085 ± 0.0005 Å
α	90°
β	93.5049 ± 0.001°
γ	90°
Cell volume	4738.65 ± 0.15 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0825
Residual factor for significantly intense reflections	0.0439
Weighted residual factors for significantly intense reflections	0.0946
Weighted residual factors for all reflections included in the refinement	0.1123
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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