Crystallography Open Database

Information card for entry 4122342

Preview

Coordinates	4122342.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H19 Cu N7 O5
Calculated formula	C21 H19 Cu N7 O5
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	12.7307 ± 0.0006 Å
b	9.8601 ± 0.0003 Å
c	17.6478 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	2215.26 ± 0.18 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	0.0651
Residual factor for significantly intense reflections	0.0586
Weighted residual factors for significantly intense reflections	0.2439
Weighted residual factors for all reflections included in the refinement	0.2499
Goodness-of-fit parameter for all reflections included in the refinement	1.1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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