Crystallography Open Database

Information card for entry 7042405

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Coordinates	7042405.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H16 Mn N O9.5
Calculated formula	C15 H16 Mn N O9.5
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	8.6474 ± 0.0004 Å
b	10.0521 ± 0.0005 Å
c	10.3075 ± 0.0005 Å
α	75.8767 ± 0.0014°
β	66.3576 ± 0.0013°
γ	83.4926 ± 0.0015°
Cell volume	795.84 ± 0.07 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	0.0318
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0709
Weighted residual factors for all reflections included in the refinement	0.0734
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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