Test Crystallography Open Database

Information card for entry 4000086

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Coordinates	4000086.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H36 Gd3 O36 P4
Calculated formula	C8 H8 Gd3 O32 P4
Title of publication	Multifunctional Luminescent and Proton-Conducting Lanthanide Carboxyphosphonate Open-Framework Hybrids Exhibiting Crystalline-to-Amorphous-to-Crystalline Transformations
Authors of publication	Colodrero, Rosario M. P.; Papathanasiou, Konstantinos E.; Stavgianoudaki, Nikoleta; Olivera-Pastor, Pascual; Losilla, Enrique R.; Aranda, Miguel A. G.; León-Reina, Laura; Sanz, Jesús; Sobrados, Isabel; Choquesillo-Lazarte, Duane; García-Ruiz, Juan M.; Atienzar, Pedro; Rey, Fernando; Demadis, Konstantinos D.; Cabeza, Aurelio
Journal of publication	Chemistry of Materials
Year of publication	2012
Journal volume	24
Journal issue	19
Pages of publication	3780 - 3792
a	13.0433 ± 0.0002 Å
b	25.7014 ± 0.0003 Å
c	11.0757 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3712.92 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	60
Hermann-Mauguin space group symbol	P c a n
Hall space group symbol	-P 2n 2c
Residual factor for all reflections	0.0253
Residual factor for significantly intense reflections	0.0233
Weighted residual factors for significantly intense reflections	0.0608
Weighted residual factors for all reflections included in the refinement	0.0617
Goodness-of-fit parameter for all reflections included in the refinement	1.071
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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