Crystallography Open Database

Information card for entry 4342175

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Coordinates	4342175.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C27 H35 Br0.13 Ho N11.88 O12.63
Calculated formula	C27 H27 Br0.205 Ho N11.795 O12.385
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	19.391 ± 0.003 Å
b	16.432 ± 0.002 Å
c	21.159 ± 0.003 Å
α	90°
β	93.467 ± 0.003°
γ	90°
Cell volume	6729.6 ± 1.6 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.087
Residual factor for significantly intense reflections	0.0464
Weighted residual factors for significantly intense reflections	0.1063
Weighted residual factors for all reflections included in the refinement	0.1353
Goodness-of-fit parameter for all reflections included in the refinement	1.067
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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