Crystallography Open Database

Information card for entry 4342165

Preview

Coordinates	4342165.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H39 N9 O6
Calculated formula	C27 H35 N9 O6
Title of publication	Lanthanide(III) Complexation with an Amide Derived Pyridinophane.
Authors of publication	Castro, Goretti; Bastida, Rufina; Macías, Alejandro; Pérez-Lourido, Paulo; Platas-Iglesias, Carlos; Valencia, Laura
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	4
Pages of publication	1671 - 1683
a	8.973 ± 0.004 Å
b	14.21 ± 0.007 Å
c	14.926 ± 0.007 Å
α	117.856 ± 0.008°
β	95.342 ± 0.01°
γ	92.016 ± 0.009°
Cell volume	1668.6 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1655
Residual factor for significantly intense reflections	0.0945
Weighted residual factors for significantly intense reflections	0.294
Weighted residual factors for all reflections included in the refinement	0.3466
Goodness-of-fit parameter for all reflections included in the refinement	1.054
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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