Crystallography Open Database

Information card for entry 4514259

Preview

Coordinates	4514259.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H12 N3 O5 Zn
Calculated formula	C20 H12 N3 O5 Zn
Title of publication	Metal-Organic Frameworks with Internal Urea-Functionalized Dicarboxylate Linkers for SO2 and NH3 Adsorption.
Authors of publication	Glomb, Sebastian; Woschko, Dennis; Makhloufi, Gamall; Janiak, Christoph
Journal of publication	ACS applied materials & interfaces
Year of publication	2017
Journal volume	9
Journal issue	42
Pages of publication	37419 - 37434
a	24.2031 ± 0.0012 Å
b	18.0034 ± 0.0009 Å
c	13.998 ± 0.0006 Å
α	90°
β	100.52 ± 0.002°
γ	90°
Cell volume	5996.9 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	12
Hermann-Mauguin space group symbol	C 1 2/m 1
Hall space group symbol	-C 2y
Residual factor for all reflections	0.0777
Residual factor for significantly intense reflections	0.051
Weighted residual factors for significantly intense reflections	0.1447
Weighted residual factors for all reflections included in the refinement	0.1594
Goodness-of-fit parameter for all reflections included in the refinement	1.08
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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