Crystallography Open Database

Information card for entry 7042402

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Coordinates	7042402.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C30 H30 Cd2 N2 O18
Calculated formula	C30 H30 Cd2 N2 O18
Title of publication	Design, structural diversity and properties of novel zwitterionic metal‒organic frameworks
Authors of publication	Aulakh, Darpandeep; Nicoletta, Anthony P.; Pyser, Joshua B.; Varghese, Juby R.; Wriedt, Mario
Journal of publication	Dalton Trans.
Year of publication	2017
a	7.465 ± 0.0003 Å
b	10.1512 ± 0.0004 Å
c	11.7742 ± 0.0005 Å
α	104.393 ± 0.001°
β	108.432 ± 0.001°
γ	101.803 ± 0.001°
Cell volume	780 ± 0.06 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0203
Residual factor for significantly intense reflections	0.0202
Weighted residual factors for significantly intense reflections	0.0532
Weighted residual factors for all reflections included in the refinement	0.0533
Goodness-of-fit parameter for all reflections included in the refinement	1.109
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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