Crystallography Open Database

Information card for entry 4347202

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Coordinates	4347202.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 Cd N O6
Calculated formula	C16 H18 Cd N O6
Title of publication	(113)Cd Nuclear Magnetic Resonance as a Probe of Structural Dynamics in a Flexible Porous Framework Showing Selective O2/N2 and CO2/N2 Adsorption.
Authors of publication	Haldar, Ritesh; Inukai, Munehiro; Horike, Satoshi; Uemura, Kazuhiro; Kitagawa, Susumu; Maji, Tapas Kumar
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	9
Pages of publication	4166 - 4172
a	9.75 ± 0.02 Å
b	9.88 ± 0.02 Å
c	9.88 ± 0.01 Å
α	90.36 ± 0.03°
β	92.73 ± 0.03°
γ	117.33 ± 0.05°
Cell volume	844 ± 3 Å³
Cell temperature	293 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 significantly intense reflections	0.0276
Weighted residual factors for all reflections included in the refinement	0.0311
Goodness-of-fit parameter for all reflections included in the refinement	0.828
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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