Crystallography Open Database

Information card for entry 7239479

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Coordinates	7239479.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C15 H5 Cd3 N6 Nd O13
Calculated formula	C15 H4.98 Cd3 N6 Nd O13
Title of publication	Crystal structure, topology, tiling and photoluminescence properties of 4d‒4f hetero-metal organic frameworks based on 3,5-pyrazoledicaboxylate
Authors of publication	Yang, Ting-Hai; Ferreira, Rute A. S.; Carlos, Luis D.; Rocha, João; Shi, Fa-Nian
Journal of publication	RSC Advances
Year of publication	2014
Journal volume	4
Journal issue	15
Pages of publication	7818
a	16.7718 ± 0.0001 Å
b	16.7718 ± 0.0001 Å
c	16.7718 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	4717.79 ± 0.05 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.0553
Residual factor for significantly intense reflections	0.0391
Weighted residual factors for significantly intense reflections	0.0765
Weighted residual factors for all reflections included in the refinement	0.0815
Goodness-of-fit parameter for all reflections included in the refinement	1.004
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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