Crystallography Open Database

Information card for entry 4314546

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Coordinates	4314546.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H44 N8 O6
Calculated formula	C34 H44 N8 O6
Title of publication	Unsymmetrical Tripodal Ligand for Lanthanide Complexation: Structural, Thermodynamic, and Photophysical Studies
Authors of publication	Badr El Aroussi; Nathalie Dupont; Gérald Bernardinelli; Josef Hamacek
Journal of publication	Inorganic Chemistry
Year of publication	2010
Journal volume	49
Pages of publication	606 - 615
a	9.573 ± 0.0011 Å
b	12.8128 ± 0.0015 Å
c	15.5018 ± 0.0018 Å
α	83.771 ± 0.009°
β	84.412 ± 0.009°
γ	73.686 ± 0.009°
Cell volume	1809.6 ± 0.4 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 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	0.1724
Residual factor for significantly intense reflections	0.0709
Weighted residual factors for all reflections	0.1415
Weighted residual factors for significantly intense reflections	0.0747
Weighted residual factors for all reflections included in the refinement	0.0747
Goodness-of-fit parameter for all reflections included in the refinement	0.9802
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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