Crystallography Open Database

Information card for entry 7108619

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Coordinates	7108619.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	33.6525 ± 0.0006 Å
b	33.6525 ± 0.0006 Å
c	4.80132 ± 0.00011 Å
α	90°
β	90°
γ	120°
Cell volume	4708.97 ± 0.16 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	0.0396
Residual factor for significantly intense reflections	0.0379
Weighted residual factors for significantly intense reflections	0.1331
Weighted residual factors for all reflections included in the refinement	0.1348
Goodness-of-fit parameter for all reflections included in the refinement	1.194
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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