Crystallography Open Database

Information card for entry 4119737

4119736 << 4119737 >> 4119738

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Coordinates	4119737.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C19 H28 N3 O6 Zn
Calculated formula	C19 H28 N3 O6 Zn
Title of publication	Molecular-level Insight into Unusual Low Pressure CO2 Affinity in Pillared Metal-Organic Frameworks
Authors of publication	Nicholas C. Burtch; Himanshu Jasuja; David Dubbeldam; Krista S. Walton
Journal of publication	Journal of the American Chemical Society
Year of publication	2013
Journal volume	135
Pages of publication	7172 - 7180
a	21.624 ± 0.009 Å
b	21.624 ± 0.009 Å
c	38.385 ± 0.009 Å
α	90°
β	90°
γ	90°
Cell volume	17949 ± 11 Å³
Cell temperature	110 ± 2 K
Ambient diffraction temperature	110 ± 2 K
Number of distinct elements	5
Space group number	142
Hermann-Mauguin space group symbol	I 41/a c d :2
Hall space group symbol	-I 4bd 2c
Residual factor for all reflections	0.0625
Residual factor for significantly intense reflections	0.0515
Weighted residual factors for significantly intense reflections	0.14
Weighted residual factors for all reflections included in the refinement	0.1503
Goodness-of-fit parameter for all reflections included in the refinement	1.028
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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