Crystallography Open Database

Information card for entry 7111867

Preview

Coordinates	7111867.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C29 H49.5 Eu F9 N8.5 O13 S3
Calculated formula	C29 H49.5 Eu F9 N8.5 O13 S3
Title of publication	Outer-sphere anion recognition by a cyclen-based octadentate europium(III) complex: pH dependent recognition of ortho-phthalic acid
Authors of publication	Desigan Sannasy; Helder M. Marques; Manuel A. Fernandes; Alvaro S. de Sousa
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	1582
a	11.8523 ± 0.0002 Å
b	13.4938 ± 0.0002 Å
c	15.4748 ± 0.0003 Å
α	70.58 ± 0.001°
β	70.779 ± 0.001°
γ	81.957 ± 0.001°
Cell volume	2202.71 ± 0.07 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0257
Residual factor for significantly intense reflections	0.0234
Weighted residual factors for significantly intense reflections	0.0626
Weighted residual factors for all reflections included in the refinement	0.0637
Goodness-of-fit parameter for all reflections included in the refinement	1.037
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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