Crystallography Open Database

Information card for entry 7108112

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Coordinates	7108112.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H5.5 N6 O13.25 Pr Zn3
Calculated formula	C15 H5.46 N6 O13.25 Pr Zn3
Title of publication	Highly emissive Zn-Ln metal-organic frameworks with an unusual 3D inorganic subnetwork
Authors of publication	C. B. Liu; R. A. S. Ferreira; F. A. Almeida Paz; A. Cadiau; L. D. Carlos; L. S. Fu; J. Rocha; F.-N. Shi
Journal of publication	Chem.Commun.
Year of publication	2012
Journal volume	48
Pages of publication	7964
a	16.3504 ± 0.0002 Å
b	16.3504 ± 0.0002 Å
c	16.3504 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	4371.04 ± 0.09 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.0304
Residual factor for significantly intense reflections	0.0239
Weighted residual factors for significantly intense reflections	0.0553
Weighted residual factors for all reflections included in the refinement	0.0576
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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