Crystallography Open Database

Information card for entry 4122343

Preview

Coordinates	4122343.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H12 Cu N6 O4
Calculated formula	C18 H12 Cu N6 O4
Title of publication	Divergent Kinetic and Thermodynamic Hydration of a Porous Cu(II) Coordination Polymer with Exclusive CO2 Sorption Selectivity.
Authors of publication	Du, Miao; Li, Cheng-Peng; Chen, Min; Ge, Zhi-Wei; Wang, Xi; Wang, Lei; Liu, Chun-Sen
Journal of publication	Journal of the American Chemical Society
Year of publication	2014
Journal volume	136
Journal issue	31
Pages of publication	10906 - 10909
a	12.5529 ± 0.0005 Å
b	9.9941 ± 0.0004 Å
c	17.6881 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	2219.06 ± 0.16 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	5
Space group number	52
Hermann-Mauguin space group symbol	P n n a
Hall space group symbol	-P 2a 2bc
Residual factor for all reflections	0.0531
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.1036
Weighted residual factors for all reflections included in the refinement	0.1143
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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