Crystallography Open Database

Information card for entry 7042756

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Coordinates	7042756.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C47 H70 Al N2 O5 Si Tb
Calculated formula	C46.9984 H69.9964 Al N2 O5 Si Tb
Title of publication	Molecular rare earth metal alumosilicates
Authors of publication	Huerta-Lavorie, Raúl; Báez-Rodríguez, Dana V.; García-Ríos, Jessica; Martínez-Vollbert, Emiliano; Martínez-Otero, Diego; Jancik, Vojtech
Journal of publication	Dalton Trans.
Year of publication	2017
a	11.1891 ± 0.0004 Å
b	13.2289 ± 0.0004 Å
c	17.2598 ± 0.0006 Å
α	85.021 ± 0.001°
β	75.513 ± 0.001°
γ	68.978 ± 0.001°
Cell volume	2308.91 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0174
Residual factor for significantly intense reflections	0.0171
Weighted residual factors for significantly intense reflections	0.0454
Weighted residual factors for all reflections included in the refinement	0.0457
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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