Crystallography Open Database

Information card for entry 7110110

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Coordinates	7110110.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C H3 Er2 O11.5 P3
Calculated formula	C0.99 H2.97 Er2 O11.5 P3
Title of publication	Transposition of chirality from diphosphonate metal-organic framework precursors onto porous lanthanide pyrophosphates
Authors of publication	Fa-Nian Shi; Filipe A. Almeida Paz; Paulo Ribeiro-Claro; Joao Rocha
Journal of publication	Chem.Commun.
Year of publication	2013
Journal volume	49
Pages of publication	11668
a	13.4154 ± 0.0002 Å
b	13.4154 ± 0.0002 Å
c	13.4154 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2414.41 ± 0.06 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	5
Space group number	199
Hermann-Mauguin space group symbol	I 21 3
Hall space group symbol	I 2b 2c 3
Residual factor for all reflections	0.0828
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.0838
Weighted residual factors for all reflections included in the refinement	0.1034
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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