Crystallography Open Database

Information card for entry 7042403

Preview

Coordinates	7042403.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H15 Mn N O9
Calculated formula	C15 H15 Mn N O9
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	7.7335 ± 0.0003 Å
b	10.1906 ± 0.0004 Å
c	11.7904 ± 0.0004 Å
α	66.308 ± 0.0011°
β	77.4597 ± 0.0011°
γ	71.6632 ± 0.0011°
Cell volume	803.26 ± 0.05 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	0.0277
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0634
Weighted residual factors for all reflections included in the refinement	0.0652
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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