Crystallography Open Database

Information card for entry 7056445

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Coordinates	7056445.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C28 H44 Cu2 N12 O14
Calculated formula	C28 H44 Cu2 N12 O14
Title of publication	Crystal engineering of a series of complexes and coordination polymers based on pyrazole-carboxylic acid ligands
Authors of publication	Radi, Smaail; El-Massaoudi, Mohamed; Benaissa, Houria; Adarsh, N. N.; Ferbinteanu, Marilena; Devlin, Eamonn; Sanakis, Yiannis; Garcia, Yann
Journal of publication	New J. Chem.
Year of publication	2017
Journal volume	41
Journal issue	16
Pages of publication	8232 - 8241
a	17.7066 ± 0.0005 Å
b	11.8913 ± 0.0003 Å
c	19.4436 ± 0.0013 Å
α	90°
β	111.498 ± 0.008°
γ	90°
Cell volume	3809.1 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0959
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.1268
Weighted residual factors for all reflections included in the refinement	0.1768
Goodness-of-fit parameter for all reflections included in the refinement	1.113
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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