Crystallography Open Database

Information card for entry 7108620

Preview

Coordinates	7108620.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 Cu N4 O4
Calculated formula	C16 H10 Cu N4 O4
Title of publication	Hysteretic carbon dioxide sorption in a novel copper(II)-indazole-carboxylate porous coordination polymer
Authors of publication	Chris S. Hawes; Ravichandar Babarao; Matthew R. Hill; Keith F. White; Brendan F. Abrahams; Paul E. Kruger
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	11558
a	33.6966 ± 0.0008 Å
b	33.6966 ± 0.0008 Å
c	4.78817 ± 0.00013 Å
α	90°
β	90°
γ	120°
Cell volume	4708.4 ± 0.2 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3
Hall space group symbol	-R 3
Residual factor for all reflections	0.0284
Residual factor for significantly intense reflections	0.0265
Weighted residual factors for significantly intense reflections	0.0697
Weighted residual factors for all reflections included in the refinement	0.0711
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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