Crystallography Open Database

Information card for entry 7236178

Preview

Coordinates	7236178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H58 Mn3 N14 O16
Calculated formula	C82 H58 Mn3 N14 O16
Title of publication	Three novel metal‒organic frameworks based on an unsymmetrical rigid carboxylate ligand for luminescence sensing of nitrobenzene derivatives and magnetic properties
Authors of publication	Wang, Xiao-Xiao; Wang, Xiao-Qing; Niu, Xiao-Yan; Hu, Tuo-Ping
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	39
Pages of publication	7471
a	9.856 ± 0.007 Å
b	10.988 ± 0.008 Å
c	17.309 ± 0.013 Å
α	80.255 ± 0.007°
β	75.531 ± 0.006°
γ	86.663 ± 0.007°
Cell volume	1789 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.1393
Residual factor for significantly intense reflections	0.0596
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.134
Goodness-of-fit parameter for all reflections included in the refinement	0.965
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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